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CHEBI:68182 - Esulatin M, (rel)-

ChEBI IDCHEBI:68182
ChEBI NameEsulatin M, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H47NO11
Net Charge0
Average Mass669.768
Monoisotopic Mass669.31491
SMILES[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)C[C@@H](OC(=O)c3cccnc3)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(C)=O
InChIInChI=1S/C36H47NO11/c1-19(2)33(42)46-27-16-28(47-34(43)26-12-11-15-37-18-26)35(9,10)14-13-20(3)32(41)36(48-25(8)40)17-21(4)30(44-23(6)38)29(36)31(22(27)5)45-24(7)39/h11-15,18-21,27-31H,5,16-17H2,1-4,6-10H3/b14-13+/t20-,21+,27-,28-,29-,30+,31+,36-/m1/s1
InChIKeyXYOKQSPGNNDHGL-SDIFRHJLSA-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 M, (rel)- (CHEBI:68182) has role metabolite (CHEBI:25212)
Esulatin M, (rel)- (CHEBI:68182) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-3beta,5alpha,15beta-triacetoxy-7beta-isobutanoyloxy-9alpha-nicotinoyloxyjatropha-6(17),11-dien-14-oneChEBI
Citations