CHEBI:9361 - Supinine

ChEBI IDCHEBI:9361
ChEBI NameSupinine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H25NO4
Net Charge0
Average Mass283.368
Monoisotopic Mass283.17836
SMILES[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)O
InChIInChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKeyDRVWTOSBCBKXOR-ZLDLUXBVSA-N
ChEBI Ontology
Outgoing Relation(s)
Supinine (CHEBI:9361) is a pyrrolizines (CHEBI:38522)
Synonyms  Source
SupinineKEGG COMPOUND
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-KEGG COMPOUND
Manual XrefsDatabases
C10403KEGG COMPOUND
C00002121KNApSAcK
Registry NumbersSources
CAS:551-58-6KEGG COMPOUND