EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9075 - Secologanate

ChEBI IDCHEBI:9075
ChEBI NameSecologanate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H22O10
Net Charge0
Average Mass374.342
Monoisotopic Mass374.12130
SMILES[H][C@]1(C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@@]1([H])CC=O
InChIInChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
InChIKeyPUEUIRDVQIKCCG-ZASXJUAOSA-N
ChEBI Ontology
Outgoing Relation(s)
Secologanate (CHEBI:9075) is a terpene glycoside (CHEBI:61777)
Synonym  Source
SecologanateKEGG COMPOUND
Manual XrefsDatabases
C01957KEGG COMPOUND