CHEBI:68180 - Esulatin K, (rel)-

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ChEBI Name Esulatin K, (rel)-
ChEBI ID CHEBI:68180
Definition A natural product found in Euphorbia esula.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H46N2O13
Net Charge 0
Average Mass 762.79880
Monoisotopic Mass 762.29999
InChI InChI=1S/C40H46N2O13/c1-22-14-15-38(7,8)31(53-36(48)28-12-10-16-41-19-28)18-30(50-24(3)43)23(2)33(51-25(4)44)32-35(52-26(5)45)39(9,21-40(32,34(22)47)54-27(6)46)55-37(49)29-13-11-17-42-20-29/h10-17,19-20,22,30-33,35H,2,18,21H2,1,3-9H3/b15-14+/t22-,30-,31-,32+,33+,35-,39-,40-/m1/s1
InChIKey JNESAYNUYICKCH-WVMGMPMTSA-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(=O)c1cccnc1)[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 K, (rel)- (CHEBI:68180) has role metabolite (CHEBI:25212)
Esulatin K, (rel)- (CHEBI:68180) is a diterpenoid (CHEBI:23849)
Synonym Source
rel-(2R,3R,3aS,4R,6R,8R,10E,12R,13aR)-3,4,6,13a-Tetraacetoxy-2,9,9,12-tetramethyl-5-methylene-13-oxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,8-diyl dinicotinate 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);