CHEBI:135896 - gitoformate

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ChEBI Name gitoformate
ChEBI ID CHEBI:135896
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C46H64O19
Net Charge 0
Average Mass 920.991
Monoisotopic Mass 920.40418
InChI InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26+,28-,29+,30+,31-,32+,33+,34-,35+,37+,38+,39-,40+,41-,42-,43+,44+,45-,46+/m1/s1
InChIKey DOMHWKQEPDYUQX-QDMRMOHQSA-N
SMILES O[C@@]12[C@@](C)([C@H]([C@H](C1)OC=O)C3=CC(OC3)=O)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@H]6C[C@H](OC=O)[C@@H]([C@H](O6)C)O[C@@H]7C[C@@H](OC=O)[C@H]([C@@H](O7)C)O[C@H]8C[C@H](OC=O)[C@@H]([C@H](O8)C)OC=O)[H])[H])[H]
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 gitoformate (CHEBI:135896) is a cardenolide glycoside (CHEBI:38092)
Synonyms Sources
formiloxin DrugCentral
formiloxine DrugCentral
pentaformylgitoxin DrugCentral
Manual Xref Database
1296 DrugCentral
View more database links
Registry Number Type Source
10176-39-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017