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CHEBI:218308 - Saprolmycin D

ChEBI IDCHEBI:218308
ChEBI NameSaprolmycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H50O16
Net Charge0
Average Mass822.857
Monoisotopic Mass822.30989
SMILESCC1OC(OC2CCC(O[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)(OC6CCC(=O)C(C)O6)C[C@@]5(O)C=C4)C[C@@H]3O)OC2C)C=CC1=O
InChIInChI=1S/C43H50O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-33(56-21(29)3)58-40-22(4)53-30(16-28(40)46)23-6-7-24-35(37(23)48)38(49)25-14-15-42(51)18-41(5,59-34-12-9-27(45)20(2)55-34)17-31(47)43(42,52)36(25)39(24)50/h6-8,11,14-15,19-22,28-30,32-34,40,46,48,51-52H,9-10,12-13,16-18H2,1-5H3/t19?,20?,21?,22-,28-,29?,30-,32?,33?,34?,40-,41-,42-,43-/m0/s1
InChIKeyBYHXPGWAHOULDV-NSECGYFDSA-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 D (CHEBI:218308) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2S,4S,5R,6S)-4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-(6-methyl-5-oxooxan-2-yl)oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445292ChemSpider