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CHEBI:81159 - Boivinide A

ChEBI IDCHEBI:81159
ChEBI NameBoivinide A
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC36H54O14
Net Charge0
Average Mass710.814
Monoisotopic Mass710.35136
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]1(C=O)CC[C@H](O[C@@H]1O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC)[C@H]1O)C2
InChIInChI=1S/C36H54O14/c1-17-30(50-32-28(42)27(41)26(40)24(14-37)49-32)31(45-3)29(43)33(47-17)48-20-6-10-35(16-38)19(13-20)4-5-23-22(35)7-9-34(2)21(8-11-36(23,34)44)18-12-25(39)46-15-18/h12,16-17,19-24,26-33,37,40-44H,4-11,13-15H2,1-3H3/t17-,19+,20+,21-,22+,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+/m1/s1
InChIKeySPNFRQDQOJKTSQ-DXVOJEDXSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Boivinide A (CHEBI:81159) is a cardenolide glycoside (CHEBI:38092)
Boivinide A (CHEBI:81159) is a steroid aldehyde (CHEBI:131565)
Synonym  Source
Corotoxigenin-3-O-beta-D-glucopyranosyl-(1->4)-beta-D-digitalopyranosideKEGG COMPOUND
Manual XrefsDatabases
C17526KEGG COMPOUND