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CHEBI:209546 - Pladienolide E

ChEBI IDCHEBI:209546
ChEBI NamePladienolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O9
Net Charge0
Average Mass552.705
Monoisotopic Mass552.32983
SMILESCCC(O)C(C)(O)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)/C=C/C1C
InChIInChI=1S/C30H48O9/c1-8-24(33)30(7,36)28-23(38-28)16-18(2)10-9-11-19(3)27-20(4)12-13-25(37-21(5)31)29(6,35)15-14-22(32)17-26(34)39-27/h9-13,18,20,22-25,27-28,32-33,35-36H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+
InChIKeyUXWUPTLRGTUYKD-VHSLCUDQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15152802)
ChEBI Ontology
Outgoing Relation(s)
Pladienolide E (CHEBI:209546) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(4E)-2-[(2E,4E)-7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Manual XrefsDatabases
9932046ChemSpider