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CHEBI:215513 - Saprolmycin B

ChEBI IDCHEBI:215513
ChEBI NameSaprolmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H40O14
Net Charge0
Average Mass708.713
Monoisotopic Mass708.24181
SMILESCC1OC(O[C@@]2(C)CC(=O)[C@]3(O)C4=C(C=C[C@]3(O)C2)C(=O)c2c(ccc([C@@H]3C[C@@H]5OC6CC(=O)C(C)OC6O[C@H]5[C@H](C)O3)c2O)C4=O)CCC1=O
InChIInChI=1S/C37H40O14/c1-15-21(38)7-8-27(47-15)51-35(4)13-26(40)37(45)29-20(9-10-36(37,44)14-35)31(42)28-19(32(29)43)6-5-18(30(28)41)23-12-24-33(17(3)46-23)50-34-25(49-24)11-22(39)16(2)48-34/h5-6,9-10,15-17,23-25,27,33-34,41,44-45H,7-8,11-14H2,1-4H3/t15?,16?,17-,23-,24-,25?,27?,33-,34?,35-,36-,37-/m0/s1
InChIKeyWPMNBFJBNRAIET-NXBUQFLTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23093030)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saprolmycin B (CHEBI:215513) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-9-[(1S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-methyl-3-(6-methyl-5-oxooxan-2-yl)oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445352ChemSpider