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CHEBI:5859 - Icacine

ChEBI IDCHEBI:5859
ChEBI NameIcacine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H31NO6
Net Charge0
Average Mass405.491
Monoisotopic Mass405.21514
SMILES[H][C@@]12CC[C@@]3(C)[C@@H](N(C)C)CO[C@@]3([H])[C@@]13O[C@H]3[C@@]1([H])OC(=O)[C@]3(C)[C@@]1([H])[C@]21CC[C@]3(O)OC1
InChIInChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18-,19-,20-,21-,22+/m0/s1
InChIKeyVSTATNJCZCHFTM-QVPHZILJSA-N
ChEBI Ontology
Outgoing Relation(s)
Icacine (CHEBI:5859) is a steroid lactone (CHEBI:26766)
Synonym  Source
IcacineKEGG COMPOUND
Manual XrefsDatabases
C08690KEGG COMPOUND
C00001646KNApSAcK
Registry NumbersSources
CAS:64999-57-1KEGG COMPOUND