CHEBI:9724 - Trilobolide

ChEBI IDCHEBI:9724
ChEBI NameTrilobolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H38O10
Net Charge0
Average Mass522.591
Monoisotopic Mass522.24650
SMILES[H][C@]12C[C@@H](OC(=O)/C(C)=C\C)C(C)=C1[C@]1([H])OC(=O)[C@@](C)(O)[C@@]1(O)[C@@H](OC(=O)[C@@H](C)CC)C[C@]2(C)OC(C)=O
InChIInChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1
InChIKeyFIAZIVNRHQWTPY-QAAPNFDWSA-N
ChEBI Ontology
Outgoing Relation(s)
Trilobolide (CHEBI:9724) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
TrilobolideKEGG COMPOUND
Manual XrefsDatabases
C09563KEGG COMPOUND
C00003377KNApSAcK
Registry NumbersSources
CAS:50657-07-3KEGG COMPOUND