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CHEBI:205761 - Pladienolide B

ChEBI IDCHEBI:205761
ChEBI NamePladienolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O8
Net Charge0
Average Mass536.706
Monoisotopic Mass536.33492
SMILESCCC(O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)/C=C/C1C
InChIInChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+
InChIKeySDOUORKJIJYJNW-VHSLCUDQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15152802)
ChEBI Ontology
Outgoing Relation(s)
Pladienolide B (CHEBI:205761) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(4E)-7,10-dihydroxy-2-[(2E,4E)-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
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