← Back to consensus flow objects
Hexadecene
| Flow Object ID | fo-70a21da08d5fc914 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
26952-14-7
|
|||||||||
| EC Numbers |
248-131-4
|
|||||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 092e1fcb-384f-4145-b524-779292d0b5dd |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
GQEZCXVZFLOKMC-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
|
| IUPAC name |
Hexadecene
|
| Molecular formula |
C16H32
|
| Molecular mass |
224.432
|
| Monoisotopic mass |
224.250401
|
| SMILES |
C=CCCCCCCCCCCCCCC
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.546E
- https://chem.echa.europa.eu/100.010.097
- https://chem.echa.europa.eu/100.043.742
- https://commonchemistry.cas.org/detail?cas_rn=25655-58-7
- https://commonchemistry.cas.org/detail?cas_rn=26952-14-7
- https://comptox.epa.gov/dashboard/DTXSID1027269
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60602
- https://en.wikipedia.org/wiki/1-Hexadecene
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/97T015M2UX
- https://hmdb.ca/metabolites/HMDB0243889
- https://pubchem.ncbi.nlm.nih.gov/compound/12395
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77507
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182381
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130597
- https://www.wikidata.org/wiki/Q27147084
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
092e1fcb… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
9e399ccc… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
3e278950… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
f2a19b7d… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
97a524fe… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
d569745c… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
b6f00202… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
9e729d68… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
39abd34e… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
40038e2b… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
3bb607ef… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
092e1fcb… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
092e1fcb… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
09db7e21… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
09db7e21… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
39abd34e… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
39abd34e… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
3bb607ef… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
3bb607ef… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
3e278950… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
3e278950… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
40038e2b… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
40038e2b… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
97a524fe… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
97a524fe… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
9e399ccc… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
9e399ccc… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
9e729d68… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
9e729d68… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
b6f00202… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
b6f00202… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
d16a79df… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
d16a79df… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
d569745c… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
d569745c… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
f2a19b7d… |
altLabel |
— |
[{"@value":"<em>n</em>-Hexadecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexadecylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26952-14-7","https://commonchemistry.cas.org/detail?cas_rn=26952-14-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=26952-14-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexadecene, Hexadecylene; object_uuid=fo-70a21da08d5fc914 |
f2a19b7d… |
cas_match_labels |
— |
{"26952-14-7":"exactMatch"} |
group_key=hexadecene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'26952-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-70a21da08d5fc914: {'26952-14-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-70a21da08d5fc914",
"prefLabel": [
{
"@value": "Hexadecene",
"@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": "<em>n</em>-Hexadecene",
"@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": "Hexadecylene",
"@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": [
"C16H32"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12395"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CCCCCCCCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GQEZCXVZFLOKMC-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12395"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CCCCCCCCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CCCCCCCCCCCCCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Hexadecene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CCCCCCCCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Hexadecene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CCCCCCCCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
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