CHEBI:4037 - Cymarin

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ChEBI Name Cymarin
ChEBI ID CHEBI:4037
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H44O9
Net Charge 0
Average Mass 548.666
Monoisotopic Mass 548.29853
InChI InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
InChIKey XQCGNURMLWFQJR-ZNDDOCHDSA-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
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
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ChEBI Ontology
Outgoing Cymarin (CHEBI:4037) is a cardenolide glycoside (CHEBI:38092)
Synonyms Sources
Cymarin KEGG COMPOUND
Strophanthidin 3-O-beta-D-cymaroside KEGG COMPOUND
Manual Xrefs Databases
4408 DrugCentral
C00003613 KNApSAcK
C08859 KEGG COMPOUND
View more database links
Registry Number Type Source
508-77-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017