CHEBI:9191 - Solasonine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Solasonine
ChEBI ID CHEBI:9191
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H73NO16
Net Charge 0
Average Mass 884.060
Monoisotopic Mass 883.493
InChI InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey QCTMYNGDIBTNSK-XEAAVONHSA-N
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1
ChEBI Ontology
Outgoing Solasonine (CHEBI:9191) is a azaspiro compound (CHEBI:35624)
Solasonine (CHEBI:9191) is a oxaspiro compound (CHEBI:37948)
Solasonine (CHEBI:9191) is a steroid (CHEBI:35341)
Synonym Source
Solasonine KEGG COMPOUND
Manual Xrefs Databases
C00002265 KNApSAcK
C10824 KEGG COMPOUND
View more database links
Registry Number Type Source
19121-58-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014