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CHEBI:68367 - trichagmalin F

ChEBI IDCHEBI:68367
ChEBI Nametrichagmalin F
Stars
DefinitionA limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.
Last Modified14 April 2015
DownloadsMolfile
FormulaC36H46O13
Net Charge0
Average Mass686.751
Monoisotopic Mass686.29384
SMILES[H][C@]12CC[C@]3(C)C(=C1[C@H](O)[C@@]1(O)[C@@H](OC(=O)/C(C)=C/C)[C@]4(C)C[C@@]1(O)[C@@]2(C)[C@H]4CC(=O)OC)[C@@H](OC(=O)C(C)(C)O)C(=O)O[C@H]3c1ccoc1
InChIInChI=1S/C36H46O13/c1-9-17(2)27(39)49-29-33(6)16-35(43)34(7,20(33)14-21(37)45-8)19-10-12-32(5)23(22(19)25(38)36(29,35)44)24(47-30(41)31(3,4)42)28(40)48-26(32)18-11-13-46-15-18/h9,11,13,15,19-20,24-26,29,38,42-44H,10,12,14,16H2,1-8H3/b17-9+/t19-,20-,24+,25-,26-,29-,32+,33+,34+,35+,36+/m0/s1
InChIKeyYFSKKCIGWFMKLS-KNIMGQHWSA-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 F (CHEBI:68367) has functional parent 2-hydroxyisobutyric acid (CHEBI:50129)
trichagmalin F (CHEBI:68367) has functional parent tiglic acid (CHEBI:9592)
trichagmalin F (CHEBI:68367) has role plant metabolite (CHEBI:76924)
trichagmalin F (CHEBI:68367) is a bridged compound (CHEBI:35990)
trichagmalin F (CHEBI:68367) is a enoate ester (CHEBI:51702)
trichagmalin F (CHEBI:68367) is a furans (CHEBI:24129)
trichagmalin F (CHEBI:68367) is a limonoid (CHEBI:39434)
trichagmalin F (CHEBI:68367) is a methyl ester (CHEBI:25248)
trichagmalin F (CHEBI:68367) is a organic heteropentacyclic compound (CHEBI:38164)
trichagmalin F (CHEBI:68367) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
1,30-diacetyltrichagmalin F (CHEBI:68369) has functional parent trichagmalin F (CHEBI:68367)
30-acetyltrichagmalin F (CHEBI:68368) has functional parent trichagmalin F (CHEBI:68367)
IUPAC Name 
(1R,4R,5S,6R,6aR,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-5,6,6a-trihydroxy-4-[(2-hydroxy-2-methylpropanoyl)oxy]-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:21299042Reaxys
Citations