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CHEBI:182566 - [3-[5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate

Default Structure
ChEBI IDCHEBI:182566
ChEBI Name[3-[5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O15
Net Charge0
Average Mass754.867
Monoisotopic Mass754.37757
SMILESCOC1C(O)C(C)OC(OC2C(CO)OC(OC3CC4CCC5C(CCC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)C(OC(C)=O)C3)C(O)C2O)C1O
InChIInChI=1S/C38H58O15/c1-17-28(42)33(47-5)31(45)35(49-17)53-32-25(15-39)52-34(30(44)29(32)43)51-21-13-20-6-7-24-23(37(20,4)26(14-21)50-18(2)40)8-10-36(3)22(9-11-38(24,36)46)19-12-27(41)48-16-19/h12,17,20-26,28-35,39,42-46H,6-11,13-16H2,1-5H3
InChIKeyXWYDFNHNSVTJFP-UHFFFAOYSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
[3-[5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate (CHEBI:182566) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
[3-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate