CHEBI:81159 - Boivinide A

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ChEBI Name Boivinide A ChEBI ID CHEBI:81159 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H54O14 Net Charge 0 Average Mass 710.80560 Monoisotopic Mass 710.35136 InChI InChI=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 InChIKey SPNFRQDQOJKTSQ-DXVOJEDXSA-N SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Roles Classification Application(s): cardioprotective agent Any protective agent that is able to prevent damage to the heart. (via cardiac glycoside ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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-digitalopyranoside KEGG COMPOUND Manual Xref Database C17526 KEGG COMPOUND View more database links Last Modified 17 March 2016