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CHEBI:69531 - rubianthraquinone

ChEBI IDCHEBI:69531
ChEBI Namerubianthraquinone
Stars
DefinitionA member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 3 and 6, a methoxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O
InChIInChI=1S/C16H12O5/c1-7-12(18)6-11-13(16(7)21-2)15(20)9-4-3-8(17)5-10(9)14(11)19/h3-6,17-18H,1-2H3
InChIKeyFDRWSVGPMGRFGX-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:
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)
rubianthraquinone (CHEBI:69531) has role plant metabolite (CHEBI:76924)
rubianthraquinone (CHEBI:69531) is a aromatic ether (CHEBI:35618)
rubianthraquinone (CHEBI:69531) is a dihydroxyanthraquinone (CHEBI:37484)
IUPAC Name 
3,6-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
Registry NumbersSources
Reaxys:9422642Reaxys
Citations