2,4-dimethylhexane

Flow Object ID fo-8076fd5de3b15172

Type Consensus

prefLabel

Label	Language
`2,4-dimethylhexane`	en

Alt Labels

Label	Language	Provenance
`(±)-2,4-Dimethylhexane`	en	—
`2,4-dimethyl-hexane`	en	—
`2-methyl-4-ethyl-pentane`	en	—
`Hexane, 2,4-dimethyl-`	en	—
`NSC 74171`	en	—

Definitions

Language	Value	Provenance
`en`	An alkane that is hexane carrying a methyl group at positions 2 and 4.

CAS Numbers 589-43-5

EC Numbers 209-649-6

Changes Applied 24

Properties

Predicate	Value
Formal charge	`0`
InChIKey	`HDGQICNBXPAKLR-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3`
IUPAC name	`2,4-dimethylhexane`
Molecular formula	`C8H18`
Molecular mass	`114.232`
Monoisotopic mass	`114.14085`
SMILES	`CCC(C)CC(C)C`

References

Linked Elementary Flows

UUID	Source	Unit	Context	Consensus Changes
`0d7a6216…`	EF 3.1	kg	Environmental → Air → Aircraft cruise height	2
`fe0acd60…`	EF 3.1	kg	Environmental → Air → Ground level → Rural (<1000 people/square mile)	2
`fe0acd60…`	EF 3.1	kg	Environmental → Air → Ground level → Urban (>1000 people/square mile)	2
`fe0acd60…`	EF 3.1	kg	Environmental → Air → High stack, >150 meters	2
`fe0acd60…`	EF 3.1	kg	Environmental → Air → Unknown	2
`0d7a6214…`	EF 3.1	kg	Environmental → Ground → Agricultural	2
`0d7a6217…`	EF 3.1	kg	Environmental → Ground → Unknown	2
`0d7a6218…`	EF 3.1	kg	Environmental → Water → Ocean	2
`0d7a6215…`	EF 3.1	kg	Environmental → Water → Surface water	2
`0d7a88f0…`	EF 3.1	kg	Environmental → Water → Unknown	2

▶

Changes Applied

Elementary Flow	Field	Old Value	New Value	Comment
`0d7a6214…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6214…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a6215…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6215…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a6216…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6216…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a6217…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6217…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a6218…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6218…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a6219…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a6219…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a88f0…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a88f0…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`0d7a88f1…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`0d7a88f1…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`fe0acd60…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`fe0acd60…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`fe0acd60…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`fe0acd60…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`fe0acd60…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`fe0acd60…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}
`fe0acd60…`	`altLabel`	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}]	[{"@value":"2,4-dimethyl-hexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2,4-dimethyl-hexane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-methyl-4-ethyl-pentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-methyl-4-ethyl-pentane","http://purl.obolibrary.org/obo/CHEBI_141561","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"(±)-2,4-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74171","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-43-5","https://commonchemistry.cas.org/detail?cas_rn=589-43-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-43-5; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylhexane, Hexane, 2,4-dimethyl-, NSC 74171; object_uuid=fo-8076fd5de3b15172
`fe0acd60…`	`cas_match_labels`	`—`	`{"589-43-5":"exactMatch"}`	group_key=2,4-dimethylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-43-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8076fd5de3b15172: {'589-43-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-8076fd5de3b15172",
  "prefLabel": [
    {
      "@value": "2,4-dimethylhexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-2,4-Dimethylhexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "2,4-dimethyl-hexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "2-methyl-4-ethyl-pentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Hexane, 2,4-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "NSC 74171",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H18"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_141561"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11511"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCC(C)CC(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_141561"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11511"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_141561"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11511"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HDGQICNBXPAKLR-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_141561"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11511"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "114.232"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "114.14085"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,4-dimethylhexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.424H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.008.773",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=589-43-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60873237",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74171",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9A9NBD65O2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11511",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[589-43-5]"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23283770",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/24703972",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.chemspider.com/Chemical-Structure.11027.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141561",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2813785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11511;CAS:589-43-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-43-5]"
      }
    },
    {
      "@id": "reaxys:1718748",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d7a6214-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "589-43-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=589-43-5"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=589-43-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-649-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-649-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "skos:definition": [
    {
      "@value": "An alkane that is hexane carrying a methyl group at positions 2 and 4.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_141561"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ]
}