← Back to consensus flow objects

2-(2-formyl-4-nitrophenoxy)hexanoic Acid

Flow Object IDfo-85aa3fe198ee7bd3
TypeConsensus
prefLabel
Label Language
2-(2-formyl-4-nitrophenoxy)hexanoic Acid en
Alt Labels
Label Language Provenance
2-(2′-Formyl-4′-nitrophenoxy)caproic acid en —
Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)- en —
CAS Numbers335153-21-4
EC Numbers608-880-3
Changes Applied26

Properties

Predicate Value
InChIKey BQZBIATZHUXDFL-UHFFFAOYSA-N
InChI InChI=1S/C13H15NO6/c1-2-3-4-12(13(16)17)20-11-6-5-10(14(18)19)7-9(11)8-15/h5-8,12H,2-4H2,1H3,(H,16,17)
IUPAC name 2-(2-formyl-4-nitro-phenoxy)hexanoic acid, 2-(2-formyl-4-nitrophenoxy)hexanoic acid, 2-(2-methanoyl-4-nitro-phenoxy)hexanoic acid
Molecular formula C13H15NO6
SMILES CCCCC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])C=O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
611ad7c9… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
6fb247c2… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
f12adabb… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
3a77eb83… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
0b851e16… EF 3.1 kg Environmental → Air → Unknown 2 2
390c2fa1… EF 3.1 kg Environmental → Air → Unknown 2 2
6035e250… EF 3.1 kg Environmental → Ground → Agricultural 2 2
ca4052cd… EF 3.1 kg Environmental → Ground → Unknown 2 2
188ad802… EF 3.1 kg Environmental → Water → Ocean 2 2
f72a7601… EF 3.1 kg Environmental → Water → Surface water 2 2
0c8714bc… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0b851e16… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
0b851e16… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
0c8714bc… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
0c8714bc… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
188ad802… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
188ad802… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
390c2fa1… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
390c2fa1… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
3a77eb83… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
3a77eb83… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
440903be… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
440903be… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
6035e250… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
6035e250… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
611ad7c9… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
611ad7c9… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
6fb247c2… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
6fb247c2… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
ca4052cd… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
ca4052cd… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
df9cecbe… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
df9cecbe… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
f12adabb… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
f12adabb… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}
f72a7601… altLabel — [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:335153-21-4","https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3
f72a7601… cas_match_labels — {"335153-21-4":"exactMatch"} group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-85aa3fe198ee7bd3",
  "prefLabel": [
    {
      "@value": "2-(2-formyl-4-nitrophenoxy)hexanoic Acid",
      "@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-(2′-Formyl-4′-nitrophenoxy)caproic 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"
      }
    },
    {
      "@value": "Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-",
      "@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": [
        "C13H15NO6"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BQZBIATZHUXDFL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])C=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H15NO6/c1-2-3-4-12(13(16)17)20-11-6-5-10(14(18)19)7-9(11)8-15/h5-8,12H,2-4H2,1H3,(H,16,17)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(2-formyl-4-nitro-phenoxy)hexanoic acid",
        "2-(2-formyl-4-nitrophenoxy)hexanoic acid",
        "2-(2-methanoyl-4-nitro-phenoxy)hexanoic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.107.479",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557;CAS:335153-21-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[335153-21-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=335153-21-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557;CAS:335153-21-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[335153-21-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60457713",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557;CAS:335153-21-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[335153-21-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11173557",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557;CAS:335153-21-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[335153-21-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82280669",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11173557;CAS:335153-21-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[335153-21-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0b851e16-5a90-4d07-9b28-7ae6ca40f873",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "335153-21-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=335153-21-4"
        }
      ],
      "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": [
        "608-880-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=608-880-3"
      ],
      "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
}