Consensus flow list

Quinizarin

fo-da9ab713a414f83e

Identity

Type
Neutral molecule
CAS
81-64-1
EC
201-368-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Quinizarin

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GUEIZVNYDFNHJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
IUPAC name chemrof:IUPAC_name 1,4-dihydroxy-9,10-anthraquinone
Molecular formula chemrof:molecular_formula C14H8O4
Molecular mass chemrof:molecular_mass 240.214
Monoisotopic mass chemrof:monoisotopic_mass 240.042259, 240.04226
SMILES string chemrof:smiles_string O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21

Known URLs

26

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=81-64-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37487 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.245 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044464 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15367 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229036 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40899 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=646569 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL17594 enrich_references.pubchem_identifier_url
gmelin gmelin:5759 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8S496ZV3CS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0257042 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.861J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J710.748J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55594 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6688 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001374 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=526782 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24434150 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25956560 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26178874 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26695300 enrich_references.chebi_xrefs
reaxys reaxys:1914036 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q906609 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Dihydroxyanthraquinone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
5b7c1c09-b1ee-43c9-9cea-66e40e71812f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8ddb72b7-beb3-4e15-8aaa-386ffff776ab Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
63a43e36-f33e-46f7-b1c7-13c07d11afa1 Environmental → Air → Indoor EF 3.1 kg 2
188ed971-fc63-4e9c-b29c-1cf96860e55a Environmental → Air → Long-term EF 3.1 kg 0
85fdb37f-d349-42b5-9e16-6454de112f4d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b079cb9a-ce17-4e6f-a605-ee0ac0de978b Environmental → Air → Unknown EF 3.1 kg 2
55825d5d-ecf8-4eca-9e5f-b90cf928381f Environmental → Ground → Agricultural EF 3.1 kg 2
95377497-7e88-446f-9979-07ffe72bba5b Environmental → Ground → Non-agricultural EF 3.1 kg 2
04eae46d-a051-4a43-91e4-88c850c8e342 Environmental → Ground → Unknown EF 3.1 kg 2
75b85173-9236-418c-9da3-8bcff46c628c Environmental → Water → Long-term EF 3.1 kg 0
aabdfe6f-4a62-446b-8700-0e74be52853f Environmental → Water → Ocean EF 3.1 kg 2
49cc1512-7b25-4b60-b107-d8f37a1b7a39 Environmental → Water → Surface water EF 3.1 kg 2
0f89eb0a-fd1a-4683-aa50-765044f69b0c 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-da9ab713a414f83e",
  "prefLabel": [
    {
      "@value": "Quinizarin",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
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  ],
  "altLabel": [
    {
      "@value": "1,4-Dihydroxy-9,10-anthracenedione",
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    },
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    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
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    },
    {
      "@value": "Anthraquinone, 1,4-dihydroxy-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "C.I. Solvent Orange 100",
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    },
    {
      "@value": "Chinizarin",
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    },
    {
      "@value": "DAQ",
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      }
    },
    {
      "@value": "Macrolex Orange GG",
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    },
    {
      "@value": "Smoke Orange 18",
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    {
      "@value": "Smoke Orange R",
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  "properties": {
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