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

Default Structure
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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