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CHEBI:9681 - Trichilin A

ChEBI IDCHEBI:9681
ChEBI NameTrichilin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H46O13
Net Charge0
Average Mass674.740
Monoisotopic Mass674.29384
SMILES[H][C@@]12C[C@@H](O)[C@]3(C)[C@]([H])(C(=O)[C@@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]543)[C@]13COC(OC(=O)[C@H](C)CC)[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3O
InChIInChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15-,19+,20+,21-,22-,24-,25+,26-,27+,28-,30?,31-,32-,33-,34+,35-/m1/s1
InChIKeyAYBKFVIPPCLFDH-KPZLONJUSA-N
ChEBI Ontology
Outgoing Relation(s)
Trichilin A (CHEBI:9681) is a limonoid (CHEBI:39434)
Synonym  Source
Trichilin AKEGG COMPOUND
Manual XrefsDatabases
C08786KEGG COMPOUND
C00003734KNApSAcK
Registry NumbersSources
CAS:77182-69-5KEGG COMPOUND