← Back to consensus flow objects
Fatty Acids, C9-13-neo-
| Flow Object ID | fo-3ec9b7c12eff9ad6 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
68938-07-8
|
|||||||||
| EC Numbers |
273-114-3
|
|||||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 1d1acca2-efbe-4ad3-a880-de5c400a045b |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FZUWYUIYVKESIP-UHFFFAOYSA-N, ZNBZNWFTONMVPR-UHFFFAOYSA-M
|
| InChI |
InChI=1S/C12H24O2/c1-12(2,3)10-8-6-4-5-7-9-11(13)14/h4-10H2,1-3H3,(H,13,14), InChI=1S/C21H36O4.Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1
|
| IUPAC name |
9,9-dimethylcapric acid, 9,9-dimethyldecanoic acid, sodium 8-(5-carboxy-4-hexyl-1-cyclohex-2-enyl)octanoate, sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)caprylate, sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)octanoate, sodium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate
|
| Molecular formula |
C12H24O2, C21H35NaO4
|
| Molecular mass |
200.322
|
| Monoisotopic mass |
200.17763
|
| SMILES |
CC(C)(C)CCCCCCCC(=O)O, CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[Na+]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J249.079J
- https://chem.echa.europa.eu/100.058.024
- https://chem.echa.europa.eu/100.062.320
- https://commonchemistry.cas.org/detail?cas_rn=56453-05-5
- https://commonchemistry.cas.org/detail?cas_rn=68938-07-8
- https://pubchem.ncbi.nlm.nih.gov/compound/111847
- https://pubchem.ncbi.nlm.nih.gov/compound/23668642
- https://www.wikidata.org/wiki/Q81988208
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
4555b2aa… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
74035c76… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
e8a793ab… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
504fb937… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
c50c5cbf… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
cfde84f6… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
1d1acca2… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
28d551db… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
429cadbb… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
688b832b… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
61803f12… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1d1acca2… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
1d1acca2… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
28d551db… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
28d551db… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
429cadbb… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
429cadbb… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
4555b2aa… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
4555b2aa… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
4f100528… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
4f100528… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
4fcbf7e7… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
4fcbf7e7… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
504fb937… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
504fb937… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
61803f12… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
61803f12… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
688b832b… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
688b832b… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
74035c76… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
74035c76… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
c50c5cbf… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
c50c5cbf… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
cfde84f6… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
cfde84f6… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
e8a793ab… |
altLabel |
— |
[{"@value":"Fatty acids, C<sub>9-13</sub>-neo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neo 913 Acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68938-07-8","https://commonchemistry.cas.org/detail?cas_rn=68938-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; cas=68938-07-8; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>9-13</sub>-neo-, Neo 913 Acid; object_uuid=fo-3ec9b7c12eff9ad6 |
e8a793ab… |
cas_match_labels |
— |
{"68938-07-8":"exactMatch"} |
group_key=fattyacids,c9-13-neo-||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'68938-07-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ec9b7c12eff9ad6: {'68938-07-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-3ec9b7c12eff9ad6",
"prefLabel": [
{
"@value": "Fatty Acids, C9-13-neo-",
"@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": "Fatty acids, C<sub>9-13</sub>-neo-",
"@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": "Neo 913 Acid",
"@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": [
"C12H24O2",
"C21H35NaO4"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:111847",
"CID:23668642"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCCCC(=O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FZUWYUIYVKESIP-UHFFFAOYSA-N",
"ZNBZNWFTONMVPR-UHFFFAOYSA-M"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:111847",
"CID:23668642"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCCCC(=O)O"
]
}
]
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