EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3768 - Cnicin

ChEBI IDCHEBI:3768
ChEBI NameCnicin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILES[H][C@@]12/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
InChIKeyZTDFZLVUIVPZDU-QGNHJMHWSA-N
ChEBI Ontology
Outgoing Relation(s)
Cnicin (CHEBI:3768) is a germacranolide (CHEBI:73011)
Synonym  Source
CnicinKEGG COMPOUND
Manual XrefsDatabases
C09362KEGG COMPOUND
C00003232KNApSAcK
Registry NumbersSources
CAS:24394-09-0KEGG COMPOUND