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CHEBI:68177 - Esulatin H, (rel)-

ChEBI IDCHEBI:68177
ChEBI NameEsulatin H, (rel)-
Stars
DefinitionA natural product found in Euphorbia esula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H54O18
Net Charge0
Average Mass798.832
Monoisotopic Mass798.33101
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)[C@]1(O)O[C@]([H])([C@@H](OC(C)=O)[C@H]1C)C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
InChIInChI=1S/C38H54O18/c1-16(2)34(46)53-28-17(3)27(48-19(5)39)26-31(51-22(8)42)36(14,54-24(10)44)15-37(26,55-25(11)45)38(47)18(4)29(49-20(6)40)33(56-38)35(12,13)32(52-23(9)43)30(28)50-21(7)41/h16,18,26-33,47H,3,15H2,1-2,4-14H3/t18-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-/m1/s1
InChIKeyVJVKGUBLNAFZOG-DMNSQRRYSA-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 H, (rel)- (CHEBI:68177) has role metabolite (CHEBI:25212)
Esulatin H, (rel)- (CHEBI:68177) is a oxolanes (CHEBI:26912)
Synonym  Source
rel-2alpha,3beta,5alpha,8alpha,9alpha,12alpha,15beta-heptaacetoxy-11,14-epoxy-14alpha-hydroxy-7beta-isobutanoyloxyjatropha-6(17)-eneChEBI
Citations