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CHEBI:217286 - Saprolmycin A

ChEBI IDCHEBI:217286
ChEBI NameSaprolmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O14
Net Charge0
Average Mass706.697
Monoisotopic Mass706.22616
SMILESCC1OC(O[C@H]2[C@H](C)O[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(OC5C=CC(=O)C(C)O5)C[C@@]4(O)C=C3)C[C@@H]2O)C=CC1=O
InChIInChI=1S/C37H38O14/c1-16-22(38)7-9-27(48-16)50-34-18(3)47-25(13-24(34)40)19-5-6-20-29(31(19)42)32(43)21-11-12-36(45)15-35(4,51-28-10-8-23(39)17(2)49-28)14-26(41)37(36,46)30(21)33(20)44/h5-12,16-18,24-25,27-28,34,40,42,45-46H,13-15H2,1-4H3/t16?,17?,18-,24-,25-,27?,28?,34-,35-,36-,37-/m0/s1
InChIKeyAVSWGYVEQIWPCT-BWLLDPINSA-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 A (CHEBI:217286) 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-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445281ChemSpider