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CHEBI:9237 - Spirasine I

ChEBI IDCHEBI:9237
ChEBI NameSpirasine I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H29NO3
Net Charge0
Average Mass355.478
Monoisotopic Mass355.21474
SMILES[H][C@@]12C(=O)C[C@@]34C=C(C)[C@H]5CC3[C@H]3N6CCOC6[C@]1(C)CCC[C@]32[C@]4(O)C5
InChIInChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h9,13-14,16-18,25H,3-8,10-11H2,1-2H3/t13-,14?,16+,17+,18?,19+,20-,21+,22-/m0/s1
InChIKeyBDYVYNKEWLPLCY-SRCHUMBQSA-N
ChEBI Ontology
Outgoing Relation(s)
Spirasine I (CHEBI:9237) has parent hydride atisane (CHEBI:36471)
Spirasine I (CHEBI:9237) is a diterpenoid (CHEBI:23849)
Synonym  Source
Spirasine IKEGG COMPOUND
Manual XrefsDatabases
C08710KEGG COMPOUND
C00001666KNApSAcK
Registry NumbersSources
CAS:106777-13-3KEGG COMPOUND