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CHEBI:225864 - Dehydroxyaquayamycin B

ChEBI IDCHEBI:225864
ChEBI NameDehydroxyaquayamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O11
Net Charge0
Average Mass662.732
Monoisotopic Mass662.27271
SMILESCc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@H]2C[C@@H](O)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)O2)c1O)C3=O
InChIInChI=1S/C37H42O11/c1-16-13-20-5-6-22-32(31(20)25(39)14-16)35(42)23-8-7-21(34(41)33(23)36(22)43)28-15-26(40)37(19(4)44-28)48-30-12-10-27(18(3)46-30)47-29-11-9-24(38)17(2)45-29/h5-8,13-14,17-19,24,26-30,37-41H,9-12,15H2,1-4H3/t17-,18-,19+,24-,26+,27-,28+,29-,30-,37+/m0/s1
InChIKeyCLHUYSRBASDRTG-HXVZGSLLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27804951)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Dehydroxyaquayamycin B (CHEBI:225864) is a angucycline (CHEBI:48130)
IUPAC Name 
1,8-dihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
78440520ChemSpider