CHEBI:65726 - 12-O-deacetyltrichilin H

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ChEBI Name 12-O-deacetyltrichilin H
ChEBI ID CHEBI:65726
ChEBI ASCII Name 12-O-deacetyltrichilin H
Definition A limonoid isolated from the ripe fruits of Melia azedarach.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H44O13
Net Charge 0
Average Mass 660.70540
Monoisotopic Mass 660.27819
InChI InChI=1S/C34H44O13/c1-14(2)28(41)46-29-30(5)19-11-20(37)32(7)24(33(19,13-43-29)26(40)23(44-15(3)35)27(30)45-16(4)36)22(38)25(39)31(6)18(17-8-9-42-12-17)10-21-34(31,32)47-21/h8-9,12,14,18-21,23-27,29,37,39-40H,10-11,13H2,1-7H3/t18-,19-,20+,21+,23+,24-,25-,26-,27+,29-,30+,31+,32+,33-,34+/m0/s1
InChIKey NVFHKAJEEUUJEX-PJZTXCKQSA-N
SMILES [H][C@@]12C[C@@H](c3ccoc3)[C@]3(C)[C@@H](O)C(=O)[C@@]4([H])[C@@](C)([C@H](O)C[C@@]5([H])[C@@]6(C)[C@@H](OC[C@@]45[C@@H](O)[C@@H](OC(C)=O)[C@H]6OC(C)=O)OC(=O)C(C)C)[C@@]13O2
Metabolite of Species Details
Melia azedarach (NCBI:txid155640) Found in ripe fruit (PO:0007038). 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 12-O-deacetyltrichilin H (CHEBI:65726) has role plant metabolite (CHEBI:76924)
12-O-deacetyltrichilin H (CHEBI:65726) is a acetate ester (CHEBI:47622)
12-O-deacetyltrichilin H (CHEBI:65726) is a epoxide (CHEBI:32955)
12-O-deacetyltrichilin H (CHEBI:65726) is a furans (CHEBI:24129)
12-O-deacetyltrichilin H (CHEBI:65726) is a limonoid (CHEBI:39434)
12-O-deacetyltrichilin H (CHEBI:65726) is a organic heterohexacyclic compound (CHEBI:51914)
12-O-deacetyltrichilin H (CHEBI:65726) is a secondary α-hydroxy ketone (CHEBI:2468)
12-O-deacetyltrichilin H (CHEBI:65726) is a triol (CHEBI:27136)
IUPAC Name
(1R,2R,3S,4R,4aR,6R,6aS,6bS,7aR,9R,9aR,10R,11aR,11bS,14S)-2,3-bis(acetyloxy)-9-(furan-3-yl)-1,6,10-trihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylpropanoate
Registry Number Type Source
10233641 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16205005 PubMed citation Europe PMC
Last Modified
06 February 2018