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CHEBI:68179 - Esulatin J, (rel)-

ChEBI IDCHEBI:68179
ChEBI NameEsulatin J, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H42O10
Net Charge0
Average Mass562.656
Monoisotopic Mass562.27780
SMILES[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)CC(=O)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/C30H42O10/c1-15(2)28(36)39-22-13-23(34)29(9,10)12-11-16(3)27(35)30(40-21(8)33)14-17(4)25(37-19(6)31)24(30)26(18(22)5)38-20(7)32/h11-12,15-17,22,24-26H,5,13-14H2,1-4,6-10H3/b12-11+/t16-,17+,22-,24-,25+,26+,30-/m1/s1
InChIKeyIXZMURMNDWWXES-DVTNSPDTSA-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 J, (rel)- (CHEBI:68179) has role metabolite (CHEBI:25212)
Esulatin J, (rel)- (CHEBI:68179) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-3beta,5alpha,15beta-triacetoxy-7beta-isobutanoyloxyjatropha-6(17),11Ediene-9,14-dioneChEBI
Citations