Consensus flow list

(2r,3r)-2,3-dihydroxybutanedioic Acid

fo-8bded85c4161b265

Identity

Type
MolecularAnion
CAS
87-69-4
EC
201-766-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (2r,3r)-2,3-dihydroxybutanedioic Acid

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge -2, 0
InChI2D key string chemrof:inchi2d_key_string FEWJPZIEWOKRBE-JCYAYHJZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10), InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2/t1-,2-/m1/s1, InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string O=C(O)[C@H](O)[C@@H](O)C(=O)O, O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-]
IUPAC name chemrof:IUPAC_name (2R,3R)-2,3-bis(oxidanyl)butanedioic acid, (2R,3R)-2,3-dihydroxybutanedioic acid, (2R,3R)-2,3-dihydroxysuccinic acid
Molecular formula chemrof:molecular_formula C4H4O6, C4H6O6
Molecular mass chemrof:molecular_mass 148.07, 150.086
Monoisotopic mass chemrof:monoisotopic_mass 148.00189, 150.016438, 150.01644
SMILES string chemrof:smiles_string O=C(O)C(O)C(O)C(=O)O, O=C([O-])C(O)C(O)C(=O)[O-]

Known URLs

37

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:1725147 enrich_references.chebi_xrefs
beilstein beilstein:3906378 enrich_references.chebi_xrefs
beilstein beilstein:4231301 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=132517-61-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=87-69-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15671 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30924 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.642 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0772 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8023632 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09459 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2566 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2566 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759609 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1236315 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/tartaric-acid-d-l-dl-meso enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G31652HG enrich_references.pubchem_identifier_url
gmelin gmelin:305937 enrich_references.chebi_xrefs
gmelin gmelin:82690 enrich_references.chebi_xrefs
gnome.glyomics.org https://gnome.glyomics.org/StructureBrowser.html?focus=G31652HG enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4J4Z8788N8 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W4888I119H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000956 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2918.12.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.839F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00898 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00898 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00103 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37519 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47744 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TLA enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1236315 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/444305 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072996 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/37578 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q18226455 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tartaric_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7a9c226e-89cc-4680-a0b8-636e6c06bf44 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
18084a22-a8ab-47cc-af15-c1639e17ead5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a3e92362-444f-4ebe-8c3c-27d5d99ec05e Environmental → Air → Indoor EF 3.1 kg 4
4ade58d5-3499-4cbc-be60-35b20266f42c Environmental → Air → Long-term EF 3.1 kg 0
ebf705d0-72d8-4366-b0c3-b5bd6d8a768b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
acc77666-3759-4e2f-a46a-3d1c3e0cf50f Environmental → Air → Unknown EF 3.1 kg 4
ba16a284-8820-415b-abf6-c283996aa415 Environmental → Ground → Agricultural EF 3.1 kg 4
e5b30fa8-5864-4026-973c-ef4dd1db3dd7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2aacf29b-b622-4cbe-b403-2456ea4ec28e Environmental → Ground → Unknown EF 3.1 kg 4
c2d0f37a-034b-4ad9-86cb-dcd380e0ac5e Environmental → Water → Long-term EF 3.1 kg 0
20222a42-497b-4cca-96d5-ef9c5df101a6 Environmental → Water → Ocean EF 3.1 kg 4
bb9014cb-28c0-4267-bfc7-58e38e460061 Environmental → Water → Surface water EF 3.1 kg 4
61dd3653-c03b-4ca6-9b64-5fd85e6779c9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8bded85c4161b265",
  "prefLabel": [
    {
      "@value": "(2r,3r)-2,3-dihydroxybutanedioic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+)-(2R,3R)-Tartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(+)-(R,R)-tartaric acid",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+)-L-tartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+)-Tartaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+)-tartrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+)-Weinsaeure",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-(+)-Tartaric 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=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(2R,3R)-2,3-Dihydroxybernsteinsaeure",
      "@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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-2,3-dihydroxybutanedioate",
      "@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_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-2,3-dihydroxysuccinate",
      "@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_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-2,3-dihydroxysuccinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-Tartaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R,3R)-tartrate",
      "@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_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R,R)-(+)-tartaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R,R)-Tartaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R,R)-Tartrate",
      "@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_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-Dihydroxyethane-1,2-dicarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dihydroxybutanedioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dihydroxysuccinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanedioic acid, 2,3-dihydroxy- (2R,3R)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "d-Tartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "d-α,β-Dihydroxysuccinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dextrotartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydroxysuccinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L(+)-TARTARIC 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-(+)-Tartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Tartaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-threarate",
      "@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_30924"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-threaric 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_15671"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Natural tartaric acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87-69-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-69-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rechtsweinsaeure",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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