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CHEBI:135896 - gitoformate

Default Structure
ChEBI IDCHEBI:135896
ChEBI Namegitoformate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC46H64O19
Net Charge0
Average Mass920.999
Monoisotopic Mass920.40418
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC=O)C[C@]34O)[C@@]1(C)CC[C@H](O[C@H]1C[C@H](OC=O)[C@H](O[C@@H]3C[C@@H](OC=O)[C@@H](O[C@H]4C[C@H](OC=O)[C@H](OC=O)[C@@H](C)O4)[C@H](C)O3)[C@@H](C)O1)C2
InChIInChI=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
InChIKeyDOMHWKQEPDYUQX-QDMRMOHQSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
gitoformate (CHEBI:135896) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
formiloxinDrugCentral
formiloxineDrugCentral
pentaformylgitoxinDrugCentral
Manual XrefsDatabases
1296DrugCentral
Registry NumbersSources
CAS:10176-39-3DrugCentral