EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9954 - Verbenalin

ChEBI IDCHEBI:9954
ChEBI NameVerbenalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H24O10
Net Charge0
Average Mass388.369
Monoisotopic Mass388.13695
SMILES[H][C@]12C(=O)C[C@H](C)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC
InChIInChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChIKeyHLXRWTJXGMHOFN-XJSNKYLASA-N
ChEBI Ontology
Outgoing Relation(s)
Verbenalin (CHEBI:9954) is a terpene glycoside (CHEBI:61777)
Synonyms  Source
VerbenalinKEGG COMPOUND
Cornin (glycoside)KEGG COMPOUND
Manual XrefsDatabases
C09802KEGG COMPOUND
C00003102KNApSAcK
Registry NumbersSources
CAS:548-37-8KEGG COMPOUND