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CHEBI:221368 - Atramycin B

ChEBI IDCHEBI:221368
ChEBI NameAtramycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O8
Net Charge0
Average Mass452.459
Monoisotopic Mass452.14712
SMILESC[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)c2C3=O)C1
InChIInChI=1S/C25H24O8/c1-10-8-12-6-7-14-19(17(12)15(26)9-10)22(29)13-4-3-5-16(18(13)21(14)28)33-25-24(31)23(30)20(27)11(2)32-25/h3-7,10-11,20,23-25,27,30-31H,8-9H2,1-2H3/t10-,11+,20-,23+,24+,25-/m0/s1
InChIKeyMOHALZUCHLKMFC-DQOJGIMZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1938611)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Atramycin B (CHEBI:221368) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S)-3-methyl-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
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78442918ChemSpider