Consensus flow list

Identity

Type
Neutral molecule
CAS
77-09-8
EC
201-004-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenolphthalein

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KJFMBFZCATUALV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
IUPAC name chemrof:IUPAC_name 3,3-Bis(4-hydroxyphenyl)phthalide
Molecular formula chemrof:molecular_formula C20H14O4
Molecular mass chemrof:molecular_mass 318.328
Monoisotopic mass chemrof:monoisotopic_mass 318.089209, 318.08921
SMILES string chemrof:smiles_string O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21

Known URLs

28

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=77-09-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34914 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.914 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021125 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04824 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2135 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2135 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10464 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=215214 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757271 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL63857 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6QK969R2IF enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256412 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.502K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14286 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05456 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14286 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05456 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2432 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=149255 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29037 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29359 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL63857 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4764 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018072 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q187921 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenolphthalein enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b9c40bcc-32e6-461b-892e-13a866626b56 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
65ca109d-fa68-4afe-8b72-28d452418d82 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
53d9a920-5b78-467a-900e-75ab1c4ec82e Environmental → Air → Indoor EF 3.1 kg 6
13d64d10-af08-4ebc-b86e-0eb4c050583d Environmental → Air → Long-term EF 3.1 kg 0
067bcdcf-3807-49ae-a176-ea1f75228f2d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
71949a67-4dd8-4071-84d8-419c915c85ff Environmental → Air → Unknown EF 3.1 kg 6
8701adac-abd6-4e68-baa9-be610f1bb803 Environmental → Ground → Agricultural EF 3.1 kg 6
a9b12267-894e-4862-aa4e-5ebece81964d Environmental → Ground → Non-agricultural EF 3.1 kg 6
74ec5c0b-d833-4465-a3aa-e04a22dd6b97 Environmental → Ground → Unknown EF 3.1 kg 6
a33e0f0a-847c-40fa-833a-67bdb2692148 Environmental → Water → Long-term EF 3.1 kg 0
776ba763-72fc-4381-b487-414c04ebe92a Environmental → Water → Ocean EF 3.1 kg 6
12ca5ca9-615e-4d18-bf14-ede8e0cfd2e6 Environmental → Water → Surface water EF 3.1 kg 6
b6ef8c07-d525-430a-b5e3-502cb599259a Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-415819e5ca9c642c",
  "prefLabel": [
    {
      "@value": "Phenolphthalein",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3-Bis(4-hydroxyphenyl)phthalide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3-Bis(p-hydroxyphenyl)phthalide",
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      }
    },
    {
      "@value": "3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "euchessina",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Koprol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Laxogen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lilo",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "MeSH ID: D020113",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phthalimetten",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "phthalin",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Purga",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Purgen",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Purgophen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PX 0520-1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spulmako-lax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trilax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
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  ],
  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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    },
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      "rdfs:label": "InChI",
      "@value": [
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