Consensus flow list

Identity

Type
Neutral molecule
CAS
577-85-5
EC
209-416-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Flavonol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HVQAJTFOCKOKIN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
IUPAC name chemrof:IUPAC_name Flavonol
Molecular formula chemrof:molecular_formula C15H10O3
Molecular mass chemrof:molecular_mass 238.242
Monoisotopic mass chemrof:monoisotopic_mass 238.06299, 238.062994
SMILES string chemrof:smiles_string O=c1c(O)c(-c2ccccc2)oc2ccccc12

Known URLs

24

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=577-85-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5078 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.562 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4060365 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=57653 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL294009 enrich_references.pubchem_identifier_url
gmelin gmelin:454998 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZTG9LSS5QH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031816 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.628D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.804.376E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J630.345E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01495 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01495 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45126 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-3261 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68456 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/1QZLHPK5TMK5 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11349 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001394 enrich_references.pubchem_identifier_url
reaxys reaxys:15789 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5919049 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Hydroxyflavone enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-hydroxyflavone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
96238138-8334-43d6-bbab-d8c9cc7ff692 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9d1d98c4-2d50-42d4-9dcc-05bef9f1b62d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
78eef22c-48f9-434b-86de-5ac3530d7c58 Environmental → Air → Indoor EF 3.1 kg 2
7fc7b9d7-449d-459a-8e4c-4a89792a7eb0 Environmental → Air → Long-term EF 3.1 kg 0
8d4a6cc3-8f88-4751-85ba-5a55c376bec2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a3d7cca6-5e6f-4802-b94a-cd067855d7da Environmental → Air → Unknown EF 3.1 kg 2
63fd295a-51b7-4bba-8a3f-e38f2c436611 Environmental → Ground → Agricultural EF 3.1 kg 2
33467eb9-1329-4d8b-b214-87201de64d9f Environmental → Ground → Non-agricultural EF 3.1 kg 2
c447e0e3-d584-468c-841b-1cd986119419 Environmental → Ground → Unknown EF 3.1 kg 2
15448d2e-5099-469e-979f-54628b3791b7 Environmental → Water → Long-term EF 3.1 kg 0
1aa848d7-2224-4f39-974c-ff40e8759111 Environmental → Water → Ocean EF 3.1 kg 2
a93f2082-6244-444c-bca3-378a61377e32 Environmental → Water → Surface water EF 3.1 kg 2
def35cf5-05a5-4c7e-a82d-e96844f21860 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-e059217a8d349905",
  "prefLabel": [
    {
      "@value": "Flavonol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:577-85-5",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-HF",
      "@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=577-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-hydroxy-2-phenyl-4H-1-benzopyran-4-one",
      "@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_5078"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-hydroxy-2-phenyl-4H-chromen-4-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Hydroxy-2-phenylchromen-4-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-hydroxy-2-phenylchromone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-hydroxyflavone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=577-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "flavon-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Flavone, 3-hydroxy-",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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        "C15H10O3"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1c(O)c(-c2ccccc2)oc2ccccc12"
          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
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        "HVQAJTFOCKOKIN-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    },
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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      "attested_by": {
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