Olitorin (CHEBI:187470)

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CHEBI:187470 - Olitorin

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ChEBI ID	CHEBI:187470
ChEBI Name	Olitorin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H52O14
Net Charge	0
Average Mass	696.787
Monoisotopic Mass	696.33571
SMILES	CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OC1OC(CO)C(O)C(O)C1O
InChI	InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3
InChIKey	KQBVSIZPUWODNU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Olitorin (CHEBI:187470) is a cardenolide glycoside (CHEBI:38092)

IUPAC Name
5,14-dihydroxy-3-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Manual Xrefs	Databases
2823445	ChemSpider
HMDB0034361	HMDB