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CHEBI:81155 - Mallogenin-3-o-alpha-L-rhamnopyranoside

Default Structure
ChEBI IDCHEBI:81155
ChEBI NameMallogenin-3-o-alpha-L-rhamnopyranoside
Stars
DownloadsMolfile
FormulaC29H44O9
Net Charge0
Average Mass536.662
Monoisotopic Mass536.29853
SMILES[H][C@@]12CC[C@@]3([H])[C@@]4(O)CC[C@H](C5=CC(=O)OC5)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2
InChIInChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1
InChIKeyHFMLTKBZNAPPNY-CZJLSCGSSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Mallogenin-3-o-alpha-L-rhamnopyranoside (CHEBI:81155) is a cardenolide glycoside (CHEBI:38092)
Synonym  Source
MallosideKEGG COMPOUND
Manual XrefsDatabases
C17522KEGG COMPOUND
Registry NumbersSources
CAS:17489-40-6KEGG COMPOUND