CHEBI:68178 - Esulatin I, (rel)-

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ChEBI Name Esulatin I, (rel)-
ChEBI ID CHEBI:68178
Definition A natural product found in Euphorbia esula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H42O12
Net Charge 0
Average Mass 654.70080
Monoisotopic Mass 654.26763
InChI InChI=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
InChIKey HKKQYNWKQBESIC-KCABZQHESA-N
SMILES [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](CC(=O)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O
Metabolite of Species Details
Euphorbia esula (NCBI:txid3993) Found in whole plant (BTO:0001461). MeOH extract of whole fresh plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Esulatin I, (rel)- (CHEBI:68178) has role metabolite (CHEBI:25212)
Esulatin I, (rel)- (CHEBI:68178) is a diterpenoid (CHEBI:23849)
Synonyms Sources
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 benzoate ChEBI
rel-3beta,5alpha,7beta,15beta-tetraacetoxy-2alpha-benzoyloxyjatropha-6(17),11E-diene-9,14-dione ChEBI
Citation Waiting for Citations Type Source
21612217 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:cyclic ketone(CHEBI:3992); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);