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CHEBI:212812 - (3S,4R)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

ChEBI IDCHEBI:212812
ChEBI Name(3S,4R)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O6
Net Charge0
Average Mass352.342
Monoisotopic Mass352.09469
SMILESCOc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)[C@@H]3O
InChIInChI=1S/C20H16O6/c1-20(25)8-12(21)14-11(19(20)24)7-6-10-16(14)18(23)9-4-3-5-13(26-2)15(9)17(10)22/h3-7,19,24-25H,8H2,1-2H3/t19-,20+/m1/s1
InChIKeyOVGJWPXNMNXAPJ-UXHICEINSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB01913 (ncbitaxon:1712655) - PubMed (26335269)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(3S,4R)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione (CHEBI:212812) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S,4R)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78438018ChemSpider