CHEBI:169214 - Corchorosol A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Corchorosol A
ChEBI ID CHEBI:169214
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O9
Net Charge 0
Average Mass 536.662
Monoisotopic Mass 536.29853
InChI InChI=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
InChIKey KISYRRMFQYIIFQ-UHFFFAOYSA-N
SMILES OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5)C)CC4)CO)CCC1(C(CC2)C=6COC(=O)C6)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
3462642 ChemSpider
HMDB0041137 HMDB
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