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CHEBI:69724 - 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate

ChEBI IDCHEBI:69724
ChEBI Name14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate
Stars
DefinitionA natural product found in Euphorbia prolifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H45NO11
Net Charge0
Average Mass715.796
Monoisotopic Mass715.29926
SMILES[H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1cccnc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(=C)C)[C@]31[H])[C@H]2OC(C)=O
InChIInChI=1S/C40H45NO11/c1-8-30(44)50-32-23(4)19-40(52-25(6)43)31(32)34(48-24(5)42)39-21-47-38(7,37(40)51-36(46)27-15-12-18-41-20-27)33(39)28(22(2)3)16-17-29(39)49-35(45)26-13-10-9-11-14-26/h9-18,20,23,28-29,31-34,37H,2,8,19,21H2,1,3-7H3/t23-,28+,29+,31+,32-,33-,34-,37-,38+,39+,40+/m0/s1
InChIKeyVVOHQWVWQIGHHS-RDCDBEHPSA-N
Species of MetaboliteComponentSourceComments
Euphorbia prolifera (IPNI:347888-1) root (BTO:0001188) PubMed (21928782) Ethyl acetate soluble part of methanol extract of air-dried roots.
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)
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate (CHEBI:69724) has role metabolite (CHEBI:25212)
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate (CHEBI:69724) is a benzoate ester (CHEBI:36054)
Citations