CHEBI:68181 - Esulatin L, (rel)-

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ChEBI Name Esulatin L, (rel)-
ChEBI ID CHEBI:68181
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 C38H49NO13
Net Charge 0
Average Mass 727.79460
Monoisotopic Mass 727.32039
InChI InChI=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
InChIKey NWWAFYRYZZFJCW-YWRBSOBWSA-N
SMILES [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O)OC(=O)C(C)C
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 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-one 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:pyridines(CHEBI:26421); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);