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CHEBI:169214 - Corchorosol A

Default Structure
ChEBI IDCHEBI:169214
ChEBI NameCorchorosol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O9
Net Charge0
Average Mass536.662
Monoisotopic Mass536.29853
SMILESCC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O
InChIInChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3
InChIKeyKISYRRMFQYIIFQ-UHFFFAOYSA-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)
Corchorosol A (CHEBI:169214) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-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
3462642ChemSpider
HMDB0041137HMDB