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CHEBI:176019 - Desglucocheirotoxol

Default Structure
ChEBI IDCHEBI:176019
ChEBI NameDesglucocheirotoxol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O10
Net Charge0
Average Mass552.661
Monoisotopic Mass552.29345
SMILESCC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O
InChIInChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3
InChIKeyUQEKVLJMBGSQGS-UHFFFAOYSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Desglucocheirotoxol (CHEBI:176019) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
10444796ChemSpider
HMDB0033828HMDB