CHEBI:80753 - k-Strophanthin-beta

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ChEBI Name k-Strophanthin-beta
ChEBI ID CHEBI:80753
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H54O14
Net Charge 0
Average Mass 710.80560
Monoisotopic Mass 710.35136
InChI InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+/m1/s1
InChIKey FHIREUBIEIPPMC-SADZTDHOSA-N
SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)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 k-Strophanthin-beta (CHEBI:80753) is a cardenolide glycoside (CHEBI:38092)
k-Strophanthin-beta (CHEBI:80753) is a steroid aldehyde (CHEBI:131565)
Manual Xref Database
C16820 KEGG COMPOUND
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Registry Number Type Source
560-53-2 CAS Registry Number KEGG COMPOUND
Last Modified
17 March 2016