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1-Hydroxyanthraquinone

fo-b8bf9ac58276f4b9

Identity

Type
Neutral molecule
CAS
129-43-1
EC
204-946-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 1-Hydroxyanthraquinone

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BTLXPCBPYBNQNR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
IUPAC name chemrof:IUPAC_name 1-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)c2c(O)cccc21

Known URLs

16

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=129-43-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28877 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.498 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020722 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8640 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL501834 enrich_references.pubchem_identifier_url
gmelin gmelin:32183 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LFU129OE9H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243898 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.422F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02980 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02980 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51872 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8512 enrich_references.pubchem_compound
reaxys reaxys:1912751 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27103937 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
041f8412-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9599-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
77aef589-d249-45b7-84d7-875b0f44f3f3 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9598-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-959a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9597-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9595-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a85-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9596-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-959c-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a86-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-959b-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
7010ad5ea712d2cddc1913c6e355215d16874cec Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9a84-0050c2490048 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-b8bf9ac58276f4b9",
  "prefLabel": [
    {
      "@value": "1-Hydroxyanthraquinone",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-hydroxy-9,10-anthracenedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "1-hydroxy-9,10-anthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Hydroxy-9,10-dihydroanthracene-9,10-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
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    },
    {
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    },
    {
      "@value": "9,10-Anthracenedione, 1-hydroxy-",
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    },
    {
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    },
    {
      "@value": "Anthraquinone, 1-hydroxy-",
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    },
    {
      "@value": "Erythroxyanthraquinone",
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    },
    {
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      }
    },
    {
      "@value": "α-Hydroxyanthraquinone",
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    },
    {
      "@value": "Quinone, 1-hydroxyanthra-",
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    },
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      "rdfs:label": "SMILES",
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}

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