Brightway Flows 1.0
GitHub

Citric Acid

fo-0ea1a43a8ab28905

Identity

Type
Neutral molecule
CAS
77-92-9
EC
201-069-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Citric Acid

Alternative labels

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KRKNYBCHXYNGOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC name chemrof:IUPAC_name Citric Acid
Molecular formula chemrof:molecular_formula C6H8O7
Molecular mass chemrof:molecular_mass 192.123
Monoisotopic mass chemrof:monoisotopic_mass 192.027, 192.027003
SMILES string chemrof:smiles_string O=C(O)CC(O)(CC(=O)O)C(=O)O

Known URLs

62

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
bpdb bpdb:1359 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=141633-96-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=60267-61-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=77-92-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30769 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.710 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.579 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.812 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0855 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020332 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04272 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04272 enrich_references.pubchem_identifier_url
drugcentral drugcentral:666 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/666 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30279 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=626579 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759606 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1261 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/citric-acid enrich_references.pubchem_identifier_url
gmelin gmelin:4240 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XF417D3PSL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000094 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2918.14.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.824J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00158 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00037 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00158 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00037 enrich_references.pubchem_identifier_url
knapsack knapsack:C00007619 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37071 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CIT enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80088 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:CIT enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449021 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/S2C9CQ2VZQ1D enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1261 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/311 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017733 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11762832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11782123 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11857437 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14537820 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15311880 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15934243 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16232627 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17190852 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17357118 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17604395 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18298573 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18960216 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19288211 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22115968 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22192423 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22264346 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22373571 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22509852 enrich_references.chebi_xrefs
reaxys reaxys:782061 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/21183 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/221946 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q159683 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Citric_Acid enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Citric_acid enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
666a8f65-c0b5-4337-88fd-38588fa0192d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
798bfe9d-ba62-46c5-a490-9c7f29a9d06a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b046b7a8-a89d-4bed-81e3-3ff91233526e Environmental → Air → Indoor EF 3.1 kg 2
8fd7d4a1-38d7-449c-9f7d-21fef6256eb8 Environmental → Air → Long-term EF 3.1 kg 0
71ced5bc-13de-4893-9404-ec4f2bb66c7c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ac552884-d5b6-4d50-82a3-2bc46e65c941 Environmental → Air → Unknown EF 3.1 kg 2
53af8d53-ea35-4498-a4be-0c91ef449013 Environmental → Ground → Agricultural EF 3.1 kg 2
6520f621-4678-4a0d-976d-b7280169a485 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5ad522fddce3b471865e92ede381f322b7e63bcd Environmental → Ground → Silvicultural agribalyse algorithm addition kg 0
78d0d625-a3b6-4e31-9443-936f9f3bb885 Environmental → Ground → Unknown EF 3.1 kg 2
84d0943d-5dc8-49b3-b753-4a7635f7c46a Environmental → Water → Long-term EF 3.1 kg 0
6866e1c9-d897-43d0-8ec6-79096aac7e70 Environmental → Water → Ocean EF 3.1 kg 2
4f6aefe7acbf24f09650ca78499bc4ffb671f002 Environmental → Water → River agribalyse algorithm addition kg 0
4666bcf0-ef30-4cb6-a51e-f0d98c59d83d Environmental → Water → Surface water EF 3.1 kg 2
6e093281-b213-4df6-a94c-60c50ed43713 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-0ea1a43a8ab28905",
  "prefLabel": [
    {
      "@value": "Citric Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Propanetricarboxylic acid, 2-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1,2,3-propanetricarboxyic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1,2,3-propanetricarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroxypropan-1,2,3-tricarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-hydroxypropane-1,2,3-tricarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroxytricarballylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Carboxy-3-hydroxy-pentanedioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Carboxy-3-hydroxypentane-1,5-dioic acid",
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      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Hydroxy-3-carboxy-1,5-pentanedioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxy-3-carboxypentanedioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxy-pentane-1,3-5-trioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "32: PN: CN118717671 SEQID: 106 claimed protein",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8: PN: WO2017048620 SEQID: 13 claimed sequence",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aciletten",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BioLink Acidifier",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Celenex 3P6",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cellborn SC-C",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemfill",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citretten",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citric acid monoglyceride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citro",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citronensaeure",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "E330",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "EMPROVE Essential Ph Eur, BP,JP,USP, E 330, FCC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grindsted Pro Tex TR 100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "H3cit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30769"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hydrocerol A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:77-92-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jet Setter",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-92-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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