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Fatty Acids, C9-13-neo-

Flow Object IDfo-3ec9b7c12eff9ad6
TypeConsensus
prefLabel
Label Language
Fatty Acids, C9-13-neo- en
Alt Labels
Label Language Provenance
Fatty acids, C<sub>9-13</sub>-neo- en
Neo 913 Acid en
CAS Numbers68938-07-8
EC Numbers273-114-3
Changes Applied26

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
SMILES CC(C)(C)CCCCCCCC(=O)O, CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[Na+]

References

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": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "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"
      }
    },
    "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": {
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)CCCCCCCC(=O)O",
        "CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "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"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "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"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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