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CHEBI:221973 - Saquayamycin B1

ChEBI IDCHEBI:221973
ChEBI NameSaquayamycin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O12
Net Charge0
Average Mass596.585
Monoisotopic Mass596.18938
SMILESC[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)O[C@@H](c4ccc5c(c4O)C(=O)C4=C(C5=O)[C@@]5(O)C(=O)C[C@](C)(O)C[C@@]5(O)C=C4)C[C@H]3O[C@H]2CC1=O
InChIInChI=1S/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13+,18+,19+,20-,27+,28-,29-,30-,31-/m0/s1
InChIKeyCTSPXNCFVRSKKD-AYIWFLJGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22758660)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin B1 (CHEBI:221973) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28516040ChemSpider