CHEBI:9235 - Spiramine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Spiramine A
ChEBI ID CHEBI:9235
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H33NO4
Net Charge 0
Average Mass 399.524
Monoisotopic Mass 399.24096
InChI InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+/m0/s1
InChIKey ZPELMDXCJZDIBP-OWOZRORESA-N
SMILES CC(=O)O[C@H]1C(=C)[C@H]2CC[C@@]11[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@]4([C@@H](O3)N3CCO[C@H]53)[C@@H]1C2
ChEBI Ontology
Outgoing Spiramine A (CHEBI:9235) has parent hydride atisane (CHEBI:36471)
Spiramine A (CHEBI:9235) is a diterpenoid (CHEBI:23849)
Synonym Source
Spiramine A KEGG COMPOUND
Manual Xrefs Databases
C00001665 KNApSAcK
C08709 KEGG COMPOUND
View more database links
Registry Number Type Source
114531-28-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014