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CHEBI:9234 - Spiradine A

ChEBI IDCHEBI:9234
ChEBI NameSpiradine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H25NO2
Net Charge0
Average Mass311.425
Monoisotopic Mass311.18853
SMILES[H][C@]12C(=O)[C@@H]3CC4C5N6C[C@]7(C)CCC[C@@]51[C@]7([H])[C@@]6(O)C[C@@]42CC3=C
InChIInChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11-,12?,14-,15?,16-,17+,18+,19+,20+/m1/s1
InChIKeyYWJLOJZDBLDKSA-MLJITFGKSA-N
ChEBI Ontology
Outgoing Relation(s)
Spiradine A (CHEBI:9234) has parent hydride atisane (CHEBI:36471)
Spiradine A (CHEBI:9234) is a diterpenoid (CHEBI:23849)
Synonym  Source
Spiradine AKEGG COMPOUND
Manual XrefsDatabases
C08708KEGG COMPOUND
C00001664KNApSAcK
Registry NumbersSources
CAS:19741-46-9KEGG COMPOUND