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CHEBI:68178 - Esulatin I, (rel)-

ChEBI IDCHEBI:68178
ChEBI NameEsulatin I, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H42O12
Net Charge0
Average Mass654.709
Monoisotopic Mass654.26763
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(=O)c3ccccc3)C[C@]1(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O
InChIInChI=1S/C35H42O12/c1-19-15-16-33(7,8)27(40)17-26(43-21(3)36)20(2)29(44-22(4)37)28-31(45-23(5)38)34(9,18-35(28,30(19)41)46-24(6)39)47-32(42)25-13-11-10-12-14-25/h10-16,19,26,28-29,31H,2,17-18H2,1,3-9H3/b16-15+/t19-,26-,28+,29+,31-,34-,35-/m1/s1
InChIKeyHKKQYNWKQBESIC-KCABZQHESA-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 I, (rel)- (CHEBI:68178) has role metabolite (CHEBI:25212)
Esulatin I, (rel)- (CHEBI:68178) is a diterpenoid (CHEBI:23849)
Synonyms  Source
rel-(2R,3R,3aS,4R,6R,10E,12R,13aR)-3,4,6,13a-Tetraacetoxy-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-2-yl benzoateChEBI
rel-3beta,5alpha,7beta,15beta-tetraacetoxy-2alpha-benzoyloxyjatropha-6(17),11E-diene-9,14-dioneChEBI
Citations