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CHEBI:187102 - Corchorusoside C

Default Structure
ChEBI IDCHEBI:187102
ChEBI NameCorchorusoside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O13
Net Charge0
Average Mass682.804
Monoisotopic Mass682.35644
SMILES[H][C@]12CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]3(O)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)CC[C@@]12C
InChIInChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
InChIKeyZOSJMTBTUZXPSR-MGSYXVBGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Corchorusoside C (CHEBI:187102) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-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
8827520ChemSpider