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CHEBI:198564 - 4-O-acetyl-rubiginone D2

ChEBI IDCHEBI:198564
ChEBI Name4-O-acetyl-rubiginone D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O7
Net Charge0
Average Mass394.379
Monoisotopic Mass394.10525
SMILESCOc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@@H](O)[C@@H](C)[C@H]3OC(C)=O
InChIInChI=1S/C22H18O7/c1-9-18(24)21(27)17-13(22(9)29-10(2)23)8-7-12-16(17)20(26)11-5-4-6-14(28-3)15(11)19(12)25/h4-9,18,22,24H,1-3H3/t9-,18+,22-/m1/s1
InChIKeyDXRKISDBIVBBFG-WEYJGOAGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10866213)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4-O-acetyl-rubiginone D2 (CHEBI:198564) is a angucycline (CHEBI:48130)
IUPAC Name 
[(2S,3R,4R)-2-hydroxy-8-methoxy-3-methyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-4-yl] acetate
Manual XrefsDatabases
8561385ChemSpider