CHEBI:9238 - Spiredine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Spiredine
ChEBI ID CHEBI:9238
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27NO3
Net Charge 0
Average Mass 353.456
Monoisotopic Mass 353.19909
InChI InChI=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
InChIKey SMCYLHSXVDDYCA-UXTSAHMASA-N
SMILES C[C@@]12CCC[C@]34[C@@H](C5C[C@@H]6C(=C)C[C@@]5(CC(=O)[C@H]13)[C@H]4C6=O)N1CCOC21
ChEBI Ontology
Outgoing Spiredine (CHEBI:9238) has parent hydride atisane (CHEBI:36471)
Spiredine (CHEBI:9238) is a diterpenoid (CHEBI:23849)
Synonym Source
Spiredine KEGG COMPOUND
Manual Xrefs Databases
C00001667 KNApSAcK
C08711 KEGG COMPOUND
View more database links
Registry Number Type Source
60062-45-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014