Consensus flow list

Griseofulvin

fo-9df01419adb504fd

Identity

Type
Neutral molecule
CAS
126-07-8
EC
204-767-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Griseofulvin

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

45

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DDUHZTYCFQRHIY-RBHXEPJQSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3, InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
IUPAC name chemrof:IUPAC_name (2S,5'R)-7-chloranyl-3',4,6-trimethoxy-5'-methyl-spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[coumaran-2,4'-cyclohex-2-ene]-1',3-quinone, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Molecular formula chemrof:molecular_formula C17H17ClO6
Molecular mass chemrof:molecular_mass 352.77
Monoisotopic mass chemrof:monoisotopic_mass 352.071366, 352.07137
SMILES string chemrof:smiles_string COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O

Known URLs

45

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=126-07-8 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2884-22-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27779 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.335 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020674 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00400 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00400 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1331 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1331 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755822 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL562 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32HRV3E3D5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014544 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.418K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06686 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00209 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06686 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00209 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002398 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-5259 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPK13060001 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPK13060001 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=27937 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-17786 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65819 enrich_references.pubchem_identifier_url
patent patent:US3069328 enrich_references.chebi_xrefs
patent patent:US3069329 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449814 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL562 enrich_references.pubchem_identifier_url
ppdb ppdb:1807 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/441140 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007959 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=493548 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=547033 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14407521 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15078340 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16922553 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23111828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25476923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3277037 enrich_references.chebi_xrefs
reaxys reaxys:95226 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/5021 enrich_references.pubchem_identifier_url
vsdb vsdb:1807 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q416096 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Griseofulvin enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
b123e4f4-bc61-4d30-a052-2956a043c5de Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4408234c-9b46-49b4-904e-ab635a30c923 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7fef2312-7abd-4471-9a23-3e3d319dbf9e Environmental → Air → Indoor EF 3.1 kg 2
04846190-769f-4b7b-8a24-977b570cbd11 Environmental → Air → Long-term EF 3.1 kg 0
36f921d8-6b95-4d57-8b53-a4c29259afaa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9d922e29-da72-46a9-a66b-969c9d1ac48b Environmental → Air → Unknown EF 3.1 kg 2
bd8ac8af-e529-41d9-97ca-fb5df791ae47 Environmental → Ground → Agricultural EF 3.1 kg 2
cc6f1456-954d-490c-ae69-55b110643def Environmental → Ground → Non-agricultural EF 3.1 kg 2
abfa7e1734ab24f4b0b810b68380ecc4545c4c62 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e991fff6-b19d-4f13-860e-be8a5bccbdfe Environmental → Ground → Unknown EF 3.1 kg 2
a0917b76-d7f8-48ee-b81b-aa09371f3965 Environmental → Water → Long-term EF 3.1 kg 0
641af73e-a6d8-4f8a-9597-c73efe843a1e Environmental → Water → Ocean EF 3.1 kg 2
a6fd4baa-cee6-4c8d-9212-dd53998191c1 Environmental → Water → Surface water EF 3.1 kg 2
2e32336e-7ae8-4514-b712-1db23e323744 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-9df01419adb504fd",
  "prefLabel": [
    {
      "@value": "Griseofulvin",
      "@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": "(+)-griseofulvin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(1′S,6′R)-7-Chloro-2′,4,6-trimethoxy-6′-methylspiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "7-Chloro-2′,4,6-trimethoxy-6′β-methylspiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "amudane",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Curling factor",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fulcin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fulvicin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fulvicin Bolus",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvicin P/G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvicin U/F",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvidex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvinil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fulvistatin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Gricin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grifulin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grifulvin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Grifulvin V",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Gris-PEG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grisactin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Grisefulin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Griseofulvin, (+)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "griseofulvina",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "griseofulvine",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "griseofulvinum",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Griseovin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grisofulvin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grisovin",
      "@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_27779"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Grisovin FP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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