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CHEBI:9238 - Spiredine

Default Structure
ChEBI IDCHEBI:9238
ChEBI NameSpiredine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H27NO3
Net Charge0
Average Mass353.462
Monoisotopic Mass353.19909
SMILES[H][C@@]12C(=O)C[C@@]34CC(=C)[C@H]5CC3[C@H]3N6CCOC6[C@]1(C)CCC[C@]32[C@]4([H])C5=O
InChIInChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13?,16-,17-,18-,19?,20-,21+,22+/m1/s1
InChIKeySMCYLHSXVDDYCA-UXTSAHMASA-N
ChEBI Ontology
Outgoing Relation(s)
Spiredine (CHEBI:9238) has parent hydride atisane (CHEBI:36471)
Spiredine (CHEBI:9238) is a diterpenoid (CHEBI:23849)
Synonym  Source
SpiredineKEGG COMPOUND
Manual XrefsDatabases
C00001667KNApSAcK
C08711KEGG COMPOUND
Registry NumbersSources
CAS:60062-45-5KEGG COMPOUND