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CHEBI:231062 - Asi-222

Default Structure
ChEBI IDCHEBI:231062
ChEBI NameAsi-222
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO7
Net Charge0
Average Mass519.679
Monoisotopic Mass519.31960
SMILESCC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1N
InChIInChI=1S/C29H45NO7/c1-15-23(30)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(31)35-14-16/h12,15,17-21,23-26,32-34H,4-11,13-14,30H2,1-3H3
InChIKeyIDPDVBWYOPBDLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Asi-222 (CHEBI:231062) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[3-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
103230ChemSpider
HMDB0260432HMDB