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CHEBI:68365 - trichagmalin E

ChEBI IDCHEBI:68365
ChEBI Nametrichagmalin E
Stars
DefinitionA limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.
Last Modified14 April 2015
DownloadsMolfile
FormulaC38H46O14
Net Charge0
Average Mass726.772
Monoisotopic Mass726.28876
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](O)C(=O)O[C@H]3c1ccoc1
InChIInChI=1S/C38H46O14/c1-10-18(2)31(44)50-33-35(7)17-37(51-20(4)40)36(8,24(35)15-25(42)46-9)23-11-13-34(6)27(28(43)32(45)49-29(34)22-12-14-47-16-22)26(23)30(48-19(3)39)38(33,37)52-21(5)41/h10,12,14,16,23-24,28-30,33,43H,11,13,15,17H2,1-9H3/b18-10+/t23-,24-,28+,29-,30-,33-,34+,35+,36+,37+,38+/m0/s1
InChIKeyMXZGVAUMCVGBHE-RCBKJWTRSA-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)
trichagmalin E (CHEBI:68365) has functional parent tiglic acid (CHEBI:9592)
trichagmalin E (CHEBI:68365) has role plant metabolite (CHEBI:76924)
trichagmalin E (CHEBI:68365) is a acetate ester (CHEBI:47622)
trichagmalin E (CHEBI:68365) is a bridged compound (CHEBI:35990)
trichagmalin E (CHEBI:68365) is a enoate ester (CHEBI:51702)
trichagmalin E (CHEBI:68365) is a furans (CHEBI:24129)
trichagmalin E (CHEBI:68365) is a limonoid (CHEBI:39434)
trichagmalin E (CHEBI:68365) is a methyl ester (CHEBI:25248)
trichagmalin E (CHEBI:68365) is a organic heteropentacyclic compound (CHEBI:38164)
trichagmalin E (CHEBI:68365) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
15-acetyltrichagmalin E (CHEBI:68366) has functional parent trichagmalin E (CHEBI:68365)
IUPAC Name 
(1R,4R,5S,6S,6aR,8R,9S,9aS,9bS,11aR,12S)-5,6,6a-tris(acetyloxy)-1-(furan-3-yl)-4-hydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate
Registry NumbersSources
Reaxys:21299043Reaxys
Citations