CHEBI:5278 - Garryine

ChEBI IDCHEBI:5278
ChEBI NameGarryine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H33NO2
Net Charge0
Average Mass343.511
Monoisotopic Mass343.25113
SMILES[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]13CCC[C@@]2(C)C1OCCN1C3)C(=C)[C@@H]4O
InChIInChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18+,19?,20-,21-,22+/m1/s1
InChIKeyIVNWJNHFVISYHC-RXJQFMQKSA-N
ChEBI Ontology
Outgoing Relation(s)
Garryine (CHEBI:5278) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
GarryineKEGG COMPOUND
Manual XrefsDatabases
C08685KEGG COMPOUND
C00001641KNApSAcK
Registry NumbersSources
CAS:561-51-3KEGG COMPOUND