Consensus flow list

Identity

Type
Neutral molecule
CAS
15687-27-1
EC
239-784-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Ibuprofen

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

214

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HEFNNWSXXWATRW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
IUPAC name chemrof:IUPAC_name Ibuprofen
Molecular formula chemrof:molecular_formula C13H18O2
Molecular mass chemrof:molecular_mass 206.285
Monoisotopic mass chemrof:monoisotopic_mass 206.13068
SMILES string chemrof:smiles_string CC(C)Cc1ccc(C(C)C(=O)O)cc1

Known URLs

49

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=15687-27-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5855 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.152 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020732 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01050 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01050 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1407 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1407 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=256857 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757073 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL521 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WK2XYI10QM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001925 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2916.39.15.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.134H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01588 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00126 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01588 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00126 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1354 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=141986 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C561 enrich_references.pubchem_identifier_url
patent patent:GB971700 enrich_references.chebi_xrefs
patent patent:US3228831 enrich_references.chebi_xrefs
patent patent:US3385886 enrich_references.chebi_xrefs
patent patent:US5215755 enrich_references.chebi_xrefs
patent patent:US6727286 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449957 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/JSNCQPWTHATF enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL521 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3672 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=025464 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11433218 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12723739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14562167 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15506544 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16176022 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18335846 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18697608 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21368281 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24168233 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25521617 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25708941 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25915907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29756342 enrich_references.chebi_xrefs
reaxys reaxys:2049713 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/5640 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q186969 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ibuprofen enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
01b19d4e-cb7d-4413-9daf-f21397847317 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ac09ded-54c4-436f-82ac-e8a640f5a9e5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c1ec43ba-4b0b-4d41-ac60-7f53a491ca20 Environmental → Air → Indoor EF 3.1 kg 2
da1821bf-150f-434c-b06d-7a5fd16b5a68 Environmental → Air → Long-term EF 3.1 kg 0
0457059b-425e-477b-885e-02cf811ee1ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8cd257c5-ae69-4c0c-b4a7-eab5ff88984b Environmental → Air → Unknown EF 3.1 kg 2
7072c641-bc24-4a46-84fa-8ff3e4408f39 Environmental → Ground → Agricultural EF 3.1 kg 2
e412ef00-13b9-4e88-ab08-3e3a7a399007 Environmental → Ground → Non-agricultural EF 3.1 kg 2
66a76baf-61f0-473f-a410-72d24ec44317 Environmental → Ground → Unknown EF 3.1 kg 2
3b216ec9-2892-45e1-8e42-ac85d9b2579c Environmental → Water → Long-term EF 3.1 kg 0
27417319-9630-4817-9a2e-c9844532fb06 Environmental → Water → Ocean EF 3.1 kg 2
33d3f63c-5290-4c99-ae24-04f2a30abf8d Environmental → Water → Surface water EF 3.1 kg 2
1178baf5-ac16-4b52-8e0e-90a03001b254 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6d363d0bdaf194d3",
  "prefLabel": [
    {
      "@value": "Ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+-)-2-(p-isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-p-isobutylhydratropic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(4-isobutylphenyl)-alpha-methylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(4-Isobutylphenyl)-α-methylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(RS)-ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-2-(p-Isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-Ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-Ibuprophen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-isobutylphenyl)propanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-(4′-Isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(p-Isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[4-(2-methylpropyl)phenyl]propanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Isobutyl-α-methylphenylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-isobutylhydratropic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Actiprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Actron Ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Advil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alaxan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Algi-Flanderil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Algiflex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Algofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "alpha-(4-isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-(p-isobutylphenyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Am-Fam 400",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Amibufen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Anafen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anco",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Andran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        }
      ],
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "239-784-6"
      ],
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        "https://echa.europa.eu/search-for-chemicals?query=239-784-6"
      ],
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
      "rdfs:label": "environmental contaminant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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