CHEBI:68360 - trichagmalin B

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ChEBI Name trichagmalin B
ChEBI ID CHEBI:68360
Definition A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H40O12
Net Charge 0
Average Mass 652.68490
Monoisotopic Mass 652.25198
InChI InChI=1S/C35H40O12/c1-17(2)28(40)45-30-32(6)16-35(47-19(4)37)33(7,23(32)13-24(38)42-8)22-9-11-31(5)25(21(22)14-34(30,35)46-18(3)36)26(39)29(41)44-27(31)20-10-12-43-15-20/h10,12,15,23,27,30,39H,1,9,11,13-14,16H2,2-8H3/t23-,27-,30-,31+,32+,33+,34+,35+/m0/s1
InChIKey ASKZUTZDOLJLAQ-GRXFOAMVSA-N
SMILES COC(=O)C[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)[C@](CC4=C(CC[C@@]5(C)[C@@H](OC(=O)C(O)=C45)c4ccoc4)[C@]13C)(OC(C)=O)[C@H]2OC(=O)C(C)=C
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 trichagmalin B (CHEBI:68360) has functional parent methacrylic acid (CHEBI:25219)
trichagmalin B (CHEBI:68360) has role plant metabolite (CHEBI:76924)
trichagmalin B (CHEBI:68360) is a δ-lactone (CHEBI:18946)
trichagmalin B (CHEBI:68360) is a acetate ester (CHEBI:47622)
trichagmalin B (CHEBI:68360) is a bridged compound (CHEBI:35990)
trichagmalin B (CHEBI:68360) is a enoate ester (CHEBI:51702)
trichagmalin B (CHEBI:68360) is a furans (CHEBI:24129)
trichagmalin B (CHEBI:68360) is a limonoid (CHEBI:39434)
trichagmalin B (CHEBI:68360) is a methyl ester (CHEBI:25248)
trichagmalin B (CHEBI:68360) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(1R,6R,6aR,8R,9S,9aS,11aR,12S)-6,6a-bis(acetyloxy)-1-(furan-3-yl)-4-hydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,5,6,6a,7,8,9,9a,10,11,11a-dodecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl 2-methylprop-2-enoate
Registry Number Type Source
21299038 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21268637 PubMed citation Europe PMC
Last Modified
14 April 2015