CHEBI:9681 - Trichilin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Trichilin A
ChEBI ID CHEBI:9681
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H46O13
Net Charge 0
Average Mass 674.733
Monoisotopic Mass 674.29384
InChI InChI=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
InChIKey AYBKFVIPPCLFDH-KPZLONJUSA-N
SMILES CC[C@@H](C)C(=O)OC1OC[C@]23[C@@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@@H](O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
ChEBI Ontology
Outgoing Trichilin A (CHEBI:9681) is a limonoid (CHEBI:39434)
Synonym Source
Trichilin A KEGG COMPOUND
Manual Xrefs Databases
C00003734 KNApSAcK
C08786 KEGG COMPOUND
View more database links
Registry Number Type Source
77182-69-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014