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CHEBI:28649 - 2-(hydroxymethyl)anthraquinone

ChEBI IDCHEBI:28649
ChEBI Name2-(hydroxymethyl)anthraquinone
Stars
Secondary ChEBI IDsCHEBI:1164, CHEBI:19647
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H10O3
Net Charge0
Average Mass238.242
Monoisotopic Mass238.06299
SMILESO=C1c2ccccc2C(=O)c2cc(CO)ccc21
InChIInChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
InChIKeyJYKHAJGLEVKEAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-(hydroxymethyl)anthraquinone (CHEBI:28649) has role metabolite (CHEBI:25212)
2-(hydroxymethyl)anthraquinone (CHEBI:28649) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-(hydroxymethyl)anthracene-9,10-dione
Synonyms  Source
2-HydroxymethylanthraquinoneKEGG COMPOUND
2-(hydroxymethyl)-9,10-anthraquinoneIUPAC
Anthraquinone-2-methanolKEGG COMPOUND
Manual XrefsDatabases
C10354KEGG COMPOUND
C00002828KNApSAcK
Registry NumbersSources
Beilstein:2120452Beilstein
CAS:17241-59-7KEGG COMPOUND