EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226331 - (3S)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

ChEBI IDCHEBI:226331
ChEBI Name(3S)-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)C3O
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-/m0/s1
InChIKeyOVGJWPXNMNXAPJ-ANYOKISRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies QL37 (ncbitaxon:2093747) - PubMed (30656821)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(3S)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione (CHEBI:226331) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione