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CHEBI:213340 - Deoxypladienolide B

ChEBI IDCHEBI:213340
ChEBI NameDeoxypladienolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O7
Net Charge0
Average Mass520.707
Monoisotopic Mass520.34000
SMILESCC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)C=CC=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@H](C)[C@@H](OC(C)=O)C=C[C@@H]1C
InChIInChI=1S/C30H48O7/c1-8-25(33)22(6)30-27(36-30)16-18(2)10-9-11-20(4)29-21(5)13-15-26(35-23(7)31)19(3)12-14-24(32)17-28(34)37-29/h9-11,13,15,18-19,21-22,24-27,29-30,32-33H,8,12,14,16-17H2,1-7H3/t18-,19+,21+,22-,24-,25+,26+,27-,29-,30-/m1/s1
InChIKeyXTBLSHURRVGTST-BSBFWFBMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34094178)
ChEBI Ontology
Outgoing Relation(s)
Deoxypladienolide B (CHEBI:213340) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S)-7-[(2R,3R)-3-[(2R,3S)-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