Desglucocoroloside (CHEBI:173218)

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CHEBI:173218 - Desglucocoroloside

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ChEBI ID	CHEBI:173218
ChEBI Name	Desglucocoroloside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H44O7
Net Charge	0
Average Mass	504.664
Monoisotopic Mass	504.30870
SMILES	CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1O
InChI	InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3
InChIKey	NQOMDNMTNVQXRR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	feces (BTO:0000440)	MetaboLights (MTBLS2721)

Roles Classification

cardioprotective agent Any protective agent that is able to prevent damage to the heart.

ChEBI Ontology

Outgoing Relation(s)
	Desglucocoroloside (CHEBI:173218) is a cardenolide glycoside (CHEBI:38092)

IUPAC Name
3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one

Manual Xrefs	Databases
10444697	ChemSpider
HMDB0033709	HMDB