← Back to consensus flow objects
Octene
| Flow Object ID | fo-504ea42dc2bf0729 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers | 25377-83-7 | |||||||||
| EC Numbers | 246-920-8 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
KWKAKUADMBZCLK-UHFFFAOYSA-N, YCTDZYMMFQCTEO-FNORWQNLSA-N
|
| InChI |
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3, InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
|
| IUPAC name |
(E)-3-octene, (E)-oct-3-ene, 1-octene, oct-1-ene
|
| Molecular formula |
C8H16
|
| SMILES |
CCCC/C=C/CC, CCCCC=CCC, CCCCCCC=C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.113F
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.931B
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.932K
- https://chem.echa.europa.eu/100.003.540
- https://chem.echa.europa.eu/100.035.431
- https://chem.echa.europa.eu/100.042.640
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0934
- https://commonchemistry.cas.org/detail?cas_rn=14919-01-8
- https://commonchemistry.cas.org/detail?cas_rn=18602-27-2
- https://commonchemistry.cas.org/detail?cas_rn=25068-25-1
- https://commonchemistry.cas.org/detail?cas_rn=25377-83-7
- https://commonchemistry.cas.org/detail?cas_rn=26746-84-9
- https://comptox.epa.gov/dashboard/DTXSID6025804
- https://comptox.epa.gov/dashboard/DTXSID90872995
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8457
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=95418
- https://en.wikipedia.org/wiki/1-Octene
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2A4P9KO860
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E5VK21B9RC
- https://hmdb.ca/metabolites/HMDB0032449
- https://hmdb.ca/metabolites/HMDB0061906
- https://pubchem.ncbi.nlm.nih.gov/compound/638228
- https://pubchem.ncbi.nlm.nih.gov/compound/8125
- https://pubchem.ncbi.nlm.nih.gov/erg/#1993
- https://pubchem.ncbi.nlm.nih.gov/erg/#3295
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46708
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88863
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1376677
- https://www.femaflavor.org/flavor-library/1-octene
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45534
- https://www.wikidata.org/wiki/Q161664
- https://www.wikidata.org/wiki/Q27160872
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3cee71a0… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
2a4c9d4c… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
6e15ab94… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
ff7af7bd… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
13a84730… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
9c47329d… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
a3aa025e… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
924e413a… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
ed6ec8f9… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
b0eda402… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
1b1b3cd3… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
13a84730… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
13a84730… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
1b1b3cd3… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
1b1b3cd3… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
2a4c9d4c… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
2a4c9d4c… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
3cee71a0… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
3cee71a0… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
5ffd4531… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
5ffd4531… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
6e15ab94… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
6e15ab94… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
924e413a… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
924e413a… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
9c47329d… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
9c47329d… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
a3aa025e… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
a3aa025e… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
a63d43da… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
a63d43da… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
b0eda402… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
b0eda402… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
ed6ec8f9… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
ed6ec8f9… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
ff7af7bd… |
altLabel |
— |
[{"@value":"<em>n</em>-Octene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octylene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25377-83-7","https://commonchemistry.cas.org/detail?cas_rn=25377-83-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; cas=25377-83-7; added Common Chemistry CAS names as altLabel: <em>n</em>-Octene, Octylene; object_uuid=fo-504ea42dc2bf0729 |
ff7af7bd… |
cas_match_labels |
— |
{"25377-83-7":"exactMatch"} |
group_key=octene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25377-83-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-504ea42dc2bf0729: {'25377-83-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-504ea42dc2bf0729",
"prefLabel": [
{
"@value": "Octene",
"@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>-Octene",
"@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": "Octylene",
"@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": [
"C8H16"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8125",
"CID:638228"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KWKAKUADMBZCLK-UHFFFAOYSA-N",
"YCTDZYMMFQCTEO-FNORWQNLSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8125",
"CID:638228"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCC/C=C/CC",
"CCCCC=CCC",
"CCCCCCC=C"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8125",
"CID:638228"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",
"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8125",
"CID:638228"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
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