CHEBI:68366 - 15-acetyltrichagmalin E

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ChEBI Name 15-acetyltrichagmalin E
ChEBI ID CHEBI:68366
Definition A limonoid that is the 15-acetyl derivative of trichagmalin E. It has been isolated from Trichilia connaroides.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H48O15
Net Charge 0
Average Mass 768.80010
Monoisotopic Mass 768.29932
InChI InChI=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
InChIKey JPEOURBMRMLICN-POSMAMQXSA-N
SMILES COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Metabolite of Species Details
Trichilia connaroides (IPNI:579388-1) Found in leaf (BTO:0000713). Methanolic extract of air-dried, powdered leaves See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 δ-lactone (CHEBI:18946)
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)
Registry Number Type Source
23636717 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21268637 PubMed citation Europe PMC
Last Modified
03 March 2015