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CHEBI:169844 - Corchorusoside A

Default Structure
ChEBI IDCHEBI:169844
ChEBI NameCorchorusoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O14
Net Charge0
Average Mass698.803
Monoisotopic Mass698.35136
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)CC[C@]3(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@H](C3=CC(=O)OC3)CC[C@]21O
InChIInChI=1S/C35H54O14/c1-16-30(49-31-29(42)28(41)27(40)23(14-36)48-31)21(37)11-25(46-16)47-18-4-7-32(2)26-20(5-8-34(32,43)12-18)35(44)9-6-19(17-10-24(39)45-15-17)33(35,3)13-22(26)38/h10,16,18-23,25-31,36-38,40-44H,4-9,11-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
InChIKeyAYNLZHBTPQZZSO-VUSDBYIUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Corchorusoside A (CHEBI:169844) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-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
554701ChemSpider