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CHEBI:69535 - 2-carbomethoxy-9,10-anthraquinone

ChEBI IDCHEBI:69535
ChEBI Name2-carbomethoxy-9,10-anthraquinone
Stars
DefinitionAn anthraquinone that is 9,10-anthraquinone substituted by a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Last Modified3 March 2015
DownloadsMolfile
FormulaC16H10O4
Net Charge0
Average Mass266.252
Monoisotopic Mass266.05791
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O4/c1-20-16(19)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8H,1H3
InChIKeyJJFLSBOGTGPZMM-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)
2-carbomethoxy-9,10-anthraquinone (CHEBI:69535) has role plant metabolite (CHEBI:76924)
2-carbomethoxy-9,10-anthraquinone (CHEBI:69535) is a anthraquinone (CHEBI:22580)
2-carbomethoxy-9,10-anthraquinone (CHEBI:69535) is a aromatic ester (CHEBI:62732)
2-carbomethoxy-9,10-anthraquinone (CHEBI:69535) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl 9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Synonyms  Source
2-(methoxycarbonyl)-9,10-anthraquinoneChEBI
9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid methyl esterChEBI
methyl 9,10-dihydro-9,10-dioxoanthracene-2-carboxylateChEBI
Registry NumbersSources
Reaxys:2698561Reaxys
Citations