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CHEBI:68181 - Esulatin L, (rel)-

ChEBI IDCHEBI:68181
ChEBI NameEsulatin L, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H49NO13
Net Charge0
Average Mass727.804
Monoisotopic Mass727.32039
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(=O)c1cccnc1)C[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
InChIInChI=1S/C38H49NO13/c1-20(2)34(45)49-28-17-29(50-35(46)27-13-12-16-39-18-27)36(9,10)15-14-21(3)32(44)38(52-26(8)43)19-37(11,51-25(7)42)33(48-24(6)41)30(38)31(22(28)4)47-23(5)40/h12-16,18,20-21,28-31,33H,4,17,19H2,1-3,5-11H3/b15-14+/t21-,28-,29-,30+,31+,33-,37-,38-/m1/s1
InChIKeyNWWAFYRYZZFJCW-YWRBSOBWSA-N
Species of MetaboliteComponentSourceComments
Euphorbia esula (ncbitaxon:3993) whole plant (BTO:0001461) PubMed (21612217) MeOH extract of whole fresh plant
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Esulatin L, (rel)- (CHEBI:68181) has role metabolite (CHEBI:25212)
Esulatin L, (rel)- (CHEBI:68181) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-2alpha,-3beta,5alpha,15beta-tetraacetoxy-7beta-isobutanoyloxy-9alpha-nicotinoyloxyjatropha-6(17),11E-dien-14-oneChEBI
Citations