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CHEBI:69512 - 1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone

ChEBI IDCHEBI:69512
ChEBI Name1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone
Stars
DefinitionA member of the class of hydroxyanthraquinones that is 9,10-anthraquinone substituted by hydroxy groups at positions 1 and 3, a methyl group at position 2 and a methoxy group at position 6. It has been isolated from the roots of Rubia yunnanensis.
Last Modified14 June 2016
DownloadsMolfile
FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOc1ccc2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O
InChIInChI=1S/C16H12O5/c1-7-12(17)6-11-13(14(7)18)16(20)9-4-3-8(21-2)5-10(9)15(11)19/h3-6,17-18H,1-2H3
InChIKeyMSRATKAMEVGQNE-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 Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone (CHEBI:69512) has role metabolite (CHEBI:25212)
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone (CHEBI:69512) has role plant metabolite (CHEBI:76924)
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone (CHEBI:69512) is a aromatic ether (CHEBI:35618)
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone (CHEBI:69512) is a dihydroxyanthraquinone (CHEBI:37484)
IUPAC Name 
1,3-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione
Registry NumbersSources
Reaxys:22020805Reaxys
Citations