CHEBI:28332 - scilliroside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name scilliroside
ChEBI ID CHEBI:28332
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9052, CHEBI:26609
Supplier Information
Download Molfile XML SDF
Formula C32H44O12
Net Charge 0
Average Mass 618.71174
Monoisotopic Mass 620.283
InChI InChI=1S/C33H46O11/c1-17(35)42-22-14-32(4)24(9-11-31(3)20(8-12-33(31,32)40)18-5-6-25(36)41-16-18)30(2)10-7-19(13-21(22)30)43-29-28(39)27(38)26(37)23(15-34)44-29/h5-6,13,16,19-20,22-24,26-29,34,37-40H,7-12,14-15H2,1-4H3/t19-,20+,22+,23+,24+,26+,27-,28+,29+,30-,31+,32+,33+/m0/s1
InChIKey ZAXLKOUOBYJMHS-QNBHOGDNSA-N
SMILES [H][C@@]1(CC[C@@]2(O)[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3[C@@H](C[C@@]21C)OC(C)=O)c1ccc(=O)oc1
Roles Classification
Application(s): rodenticide
A substance used to destroy rodent pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing scilliroside (CHEBI:28332) has functional parent scillirosidin (CHEBI:37417)
scilliroside (CHEBI:28332) has role rodenticide (CHEBI:33288)
scilliroside (CHEBI:28332) is a β-D-glucoside (CHEBI:22798)
IUPAC Name
6β-acetoxy-3β-(β-D-glucopyranosyloxy)-8α,14-dihydroxybufa-4,20,22-trienolide
Synonyms Sources
Scilliroside KEGG COMPOUND
Scillirosidin 3-O-beta-D-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00003637 KNApSAcK
C08880 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
507-60-8 CAS Registry Number KEGG COMPOUND
507-60-8 CAS Registry Number ChemIDplus
Last Modified
04 August 2014