Brightway Flows 1.0
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2-hydroxyanthraquinone

fo-807b17f6dc589efd

Identity

Type
Neutral molecule
CAS
605-32-3
EC
210-085-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-hydroxyanthraquinone

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GCDBEYOJCZLKMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
IUPAC name chemrof:IUPAC_name 2-hydroxyanthraquinone
Molecular formula chemrof:molecular_formula C14H8O3
Molecular mass chemrof:molecular_mass 224.215
Monoisotopic mass chemrof:monoisotopic_mass 224.04734, 224.047344
SMILES string chemrof:smiles_string O=C1c2ccccc2C(=O)c2cc(O)ccc21

Known URLs

12

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:1877960 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=605-32-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37482 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.169 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4049327 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2595 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL446963 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2R8351U6Q0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.267B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55592 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11796 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27117163 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c898aa44-bc43-49b4-9962-1c36d4643bd2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0c2c6ada-c1d5-4378-8445-5f0ccc8406ad Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
71938efb-d101-420a-8479-bd730391c655 Environmental → Air → Indoor EF 3.1 kg 2
f5d93706-bb35-461b-9964-a7293047e4a8 Environmental → Air → Long-term EF 3.1 kg 0
e8360f59-8c9e-4cf9-bac3-07595e0dcb43 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
29b6a0fa-15a4-4ac8-90fc-eb82c450514e Environmental → Air → Unknown EF 3.1 kg 2
e3c2d563-ed90-47b5-915d-0f9337044387 Environmental → Ground → Agricultural EF 3.1 kg 2
1e272283-cd9f-4892-be9f-9c158fa00ae6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
13e79852-8769-4563-a1b6-224704c6318a Environmental → Ground → Unknown EF 3.1 kg 2
aaa86c06-c1a2-4681-91d4-e1e484c758c7 Environmental → Water → Long-term EF 3.1 kg 0
32c3601d-60e4-42eb-b636-2ef58e8cd29a Environmental → Water → Ocean EF 3.1 kg 2
3a1c3932-3388-4691-bfac-9fd2073643b3 Environmental → Water → Surface water EF 3.1 kg 2
d5e08540-1e10-42fb-a268-f4413aa836e2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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    "seed_uuid": "0c2c6ada-c1d5-4378-8445-5f0ccc8406ad",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "605-32-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=605-32-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=605-32-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "210-085-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=210-085-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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