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CHEBI:69730 - Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate

ChEBI IDCHEBI:69730
ChEBI NamePremyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
Stars
DefinitionA natural product found in Euphorbia prolifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H46O12
Net Charge0
Average Mass670.752
Monoisotopic Mass670.29893
SMILES[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@]3(COC(C)=O)[C@H](OC(C)=O)C[C@]4([H])C(C)(C)[C@]4([H])[C@@]3([H])[C@](C)(OC(C)=O)C(=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)CC
InChIInChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,34-,35+,36+/m0/s1
InChIKeyXCYFSKKZKGHHRG-BZCIOZDJSA-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)
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate (CHEBI:69730) has role metabolite (CHEBI:25212)
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate (CHEBI:69730) is a monoterpenoid (CHEBI:25409)
Citations