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CHEBI:206931 - Dehydroxyaquayamycin

ChEBI IDCHEBI:206931
ChEBI NameDehydroxyaquayamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O7
Net Charge0
Average Mass434.444
Monoisotopic Mass434.13655
SMILESCc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)c1O)C3=O
InChIInChI=1S/C25H22O7/c1-10-7-12-3-4-14-20(19(12)16(26)8-10)24(30)15-6-5-13(23(29)21(15)25(14)31)18-9-17(27)22(28)11(2)32-18/h3-8,11,17-18,22,26-29H,9H2,1-2H3/t11-,17-,18-,22-/m1/s1
InChIKeyCOWAHSPQIKCIBE-NGWHWWAPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1055/s-0036-1596717)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Dehydroxyaquayamycin (CHEBI:206931) is a angucycline (CHEBI:48130)
IUPAC Name 
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
29214967ChemSpider