EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69722 - 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate

ChEBI IDCHEBI:69722
ChEBI Name14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate
Stars
DefinitionA natural product found in Euphorbia prolifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H44O11
Net Charge0
Average Mass652.737
Monoisotopic Mass652.28836
SMILES[H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[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/C36H44O11/c1-9-27(40)46-29-20(4)17-36(47-23(7)39)28(29)31(43-21(5)37)35-18-42-34(8,33(36)44-22(6)38)30(35)25(19(2)3)15-16-26(35)45-32(41)24-13-11-10-12-14-24/h10-16,20,25-26,28-31,33H,2,9,17-18H2,1,3-8H3/t20-,25+,26+,28+,29-,30-,31-,33-,34+,35+,36+/m0/s1
InChIKeyHUVLAOORYMIHTC-OBKKVEPQSA-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-acetate (CHEBI:69722) has role metabolite (CHEBI:25212)
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate (CHEBI:69722) is a benzoate ester (CHEBI:36054)
Citations