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CHEBI:204597 - PD116779

ChEBI IDCHEBI:204597
ChEBI NamePD116779
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O6
Net Charge0
Average Mass338.315
Monoisotopic Mass338.07904
SMILESC[C@@]1(O)Cc2ccc3c(c2C(=O)[C@@H]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C19H14O6/c1-19(25)7-8-5-6-10-14(12(8)17(23)18(19)24)16(22)9-3-2-4-11(20)13(9)15(10)21/h2-6,18,20,24-25H,7H2,1H3/t18-,19+/m0/s1
InChIKeyZGIMJLWQWQRQNJ-RBUKOAKNSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies (ncbitaxon:37632) - PubMed (3754549)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
PD116779 (CHEBI:204597) is a angucycline (CHEBI:48130)
IUPAC Name 
(2R,3R)-2,3,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28649720ChemSpider