CHEBI:9185 - Solamargine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Solamargine
ChEBI ID CHEBI:9185
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C45H73NO15
Net Charge 0
Average Mass 868.061
Monoisotopic Mass 867.498
InChI InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,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 MBWUSSKCCUMJHO-ZGXDEBHDSA-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]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[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 Solamargine (CHEBI:9185) is a azaspiro compound (CHEBI:35624)
Solamargine (CHEBI:9185) is a oxaspiro compound (CHEBI:37948)
Solamargine (CHEBI:9185) is a steroid (CHEBI:35341)
Synonym Source
Solamargine KEGG COMPOUND
Manual Xrefs Databases
C00002260 KNApSAcK
C10819 KEGG COMPOUND
View more database links
Registry Number Type Source
20311-51-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014