EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7807 - Ovatine

ChEBI IDCHEBI:7807
ChEBI NameOvatine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H35NO3
Net Charge0
Average Mass385.548
Monoisotopic Mass385.26169
SMILES[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]13CCC[C@@]2(C)CN1CCOC13)C(=C)[C@H]4OC(C)=O
InChIInChI=1S/C24H35NO3/c1-15-17-5-6-19-23(13-17,20(15)28-16(2)26)10-7-18-22(3)8-4-9-24(18,19)21-25(14-22)11-12-27-21/h17-21H,1,4-14H2,2-3H3/t17?,18-,19-,20-,21?,22+,23-,24+/m1/s1
InChIKeyYHPDTHOCMSACJY-BIHNQRGNSA-N
ChEBI Ontology
Outgoing Relation(s)
Ovatine (CHEBI:7807) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
OvatineKEGG COMPOUND
Manual XrefsDatabases
C08703KEGG COMPOUND
C00001659KNApSAcK
Registry NumbersSources
CAS:68719-14-2KEGG COMPOUND