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CHEBI:68180 - Esulatin K, (rel)-

ChEBI IDCHEBI:68180
ChEBI NameEsulatin K, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H46N2O13
Net Charge0
Average Mass762.809
Monoisotopic Mass762.29999
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(=O)c3cccnc3)C[C@]1(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(=O)c1cccnc1)C[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O
InChIInChI=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
InChIKeyJNESAYNUYICKCH-WVMGMPMTSA-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 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 dinicotinateChEBI
Citations