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CHEBI:208493 - Saprolmycin E

ChEBI IDCHEBI:208493
ChEBI NameSaprolmycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H48O16
Net Charge0
Average Mass820.841
Monoisotopic Mass820.29424
SMILESC[C@@H]1O[C@@H](O[C@H]2CCC(O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)C4=C(C5=O)[C@@]5(O)C(=O)C[C@@](C)(O[C@H]6C=CC(=O)[C@H](C)O6)C[C@@]5(O)C=C4)O[C@@H]3C)O[C@H]2C)C=CC1=O
InChIInChI=1S/C43H48O16/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/h6-9,11-12,14-15,19-22,28-30,32-34,40,46,48,51-52H,10,13,16-18H2,1-5H3/t19-,20-,21-,22+,28+,29-,30+,32-,33?,34-,40+,41+,42-,43-/m0/s1
InChIKeyYPBBSZLQXSUPEP-VFZXOFDQSA-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 E (CHEBI:208493) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(5S,6S)-6-methyl-5-[[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78437920ChemSpider