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CHEBI:68366 - 15-acetyltrichagmalin E

ChEBI IDCHEBI:68366
ChEBI Name15-acetyltrichagmalin E
Stars
DefinitionA limonoid that is the 15-acetyl derivative of trichagmalin E. It has been isolated from Trichilia connaroides.
Last Modified3 March 2015
DownloadsMolfile
FormulaC40H48O15
Net Charge0
Average Mass768.809
Monoisotopic Mass768.29932
SMILES[H][C@]12CC[C@]3(C)C(=C1[C@H](OC(C)=O)[C@@]1(OC(C)=O)[C@@H](OC(=O)/C(C)=C/C)[C@@]4(C)C[C@@]1(OC(C)=O)[C@@]2(C)[C@H]4CC(=O)OC)[C@@H](OC(C)=O)C(=O)O[C@H]3c1ccoc1
InChIInChI=1S/C40H48O15/c1-11-19(2)33(46)53-35-37(8)18-39(54-22(5)43)38(9,26(37)16-27(45)48-10)25-12-14-36(7)29(28(25)32(51-21(4)42)40(35,39)55-23(6)44)30(50-20(3)41)34(47)52-31(36)24-13-15-49-17-24/h11,13,15,17,25-26,30-32,35H,12,14,16,18H2,1-10H3/b19-11+/t25-,26-,30+,31-,32-,35-,36+,37-,38+,39+,40+/m0/s1
InChIKeyJPEOURBMRMLICN-POSMAMQXSA-N
Species of MetaboliteComponentSourceComments
Trichilia connaroides (IPNI:579388-1) leaf (BTO:0000713) PubMed (21268637) Methanolic extract of air-dried, powdered leaves
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
15-acetyltrichagmalin E (CHEBI:68366) has functional parent tiglic acid (CHEBI:9592)
15-acetyltrichagmalin E (CHEBI:68366) has functional parent trichagmalin E (CHEBI:68365)
15-acetyltrichagmalin E (CHEBI:68366) has role plant metabolite (CHEBI:76924)
15-acetyltrichagmalin E (CHEBI:68366) is a acetate ester (CHEBI:47622)
15-acetyltrichagmalin E (CHEBI:68366) is a bridged compound (CHEBI:35990)
15-acetyltrichagmalin E (CHEBI:68366) is a furans (CHEBI:24129)
15-acetyltrichagmalin E (CHEBI:68366) is a limonoid (CHEBI:39434)
15-acetyltrichagmalin E (CHEBI:68366) is a methyl ester (CHEBI:25248)
15-acetyltrichagmalin E (CHEBI:68366) is a organic heteropentacyclic compound (CHEBI:38164)
15-acetyltrichagmalin E (CHEBI:68366) is a δ-lactone (CHEBI:18946)
Registry NumbersSources
Reaxys:23636717Reaxys
Citations