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Valproic acid

fo-e5a63348d85d7d76

Identity

Type
Neutral molecule
CAS
99-66-1
EC
202-777-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Valproic acid

Alternative labels

29

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NIJJYAXOARWZEE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
IUPAC name chemrof:IUPAC_name Valproic acid
Molecular formula chemrof:molecular_formula C8H16O2
Molecular mass chemrof:molecular_mass 144.214
Monoisotopic mass chemrof:monoisotopic_mass 144.11503
SMILES string chemrof:smiles_string CCCC(CCC)C(=O)O

Known URLs

55

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
beilstein beilstein:1750447 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99-66-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39867 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.525 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6023733 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00313 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00313 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2803 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2803 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93819 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL109 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/614OI1Z5WI enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001877 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2915.90.14.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.972G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07185 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00399 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07185 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00399 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-4620 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01020291 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01020291 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=337 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29536 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:2PP enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451846 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/F3BQDP62S1D8 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL109 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3121 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=057177 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=566378 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11716839 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12475192 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15124690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15560954 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15578701 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16496131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16621443 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16759735 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17156483 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17273758 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19280426 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19318486 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23792104 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23810771 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23949302 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24135375 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24200999 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24348849 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8558327 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8681902 enrich_references.chebi_xrefs
reaxys reaxys:1750447 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/11118 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q240642 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Valproic_Acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
54be5954-dd80-4f71-ad21-352e7785a464 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7c83cf4c-2a8c-4aa7-81ce-df654e17624e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cfac5e88-6793-4203-aab4-df130336f8a5 Environmental → Air → Indoor EF 3.1 kg 2
5976716a-484f-4fd9-93f6-29f1450043fb Environmental → Air → Long-term EF 3.1 kg 0
f22fc3ad-3fbb-4f40-a99a-5e15e91a3ef5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ea3799b7-1e36-479e-9949-e8926095bf84 Environmental → Air → Unknown EF 3.1 kg 2
ed6bce98-e4fc-432f-9245-1ba7b954cf87 Environmental → Ground → Agricultural EF 3.1 kg 2
5def1f88-4c78-40c7-abe0-8151bb25608a Environmental → Ground → Non-agricultural EF 3.1 kg 2
01910d1f-6b12-49b1-83ea-27096464b1b1 Environmental → Ground → Unknown EF 3.1 kg 2
b476f3e7-d255-42a2-97d8-2c3d62a92cdf Environmental → Water → Long-term EF 3.1 kg 0
c886c137-99a9-4c06-8c00-059f46b135c2 Environmental → Water → Ocean EF 3.1 kg 2
3266d06d-02ab-4a68-97ef-cf78755656b2 Environmental → Water → Surface water EF 3.1 kg 2
ed68e80b-1396-4ee4-bb0b-888cd10eb82a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e5a63348d85d7d76",
  "prefLabel": [
    {
      "@value": "Valproic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2-Di-n-propylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-n-propyl-n-valeric 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-PROPYL-PENTANOIC 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-propylpentanoic 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-propylvaleric Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "4-heptanecarboxylic 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "44089",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, dipropyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "acide valproique",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acido valproico",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acidum valproicum",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Depakene",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Depakine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Depakine-chrono",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "di-n-propylacetic 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Di-n-propylessigsaeure",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dipropylacetic 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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ergenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D014635",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mylproin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Dipropylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-DPA",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pentanoic acid, 2-propyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sigma V 0033000",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stavzor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valcote",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valeric acid, 2-propyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-66-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valproinsaeure",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "VPA",
      "@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_39867"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H16O2"
      ],
      "attested_by": {
        "C8H16O2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39867"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3121"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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