Erychrozol (CHEBI:229115)

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CHEBI:229115 - Erychrozol

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ChEBI ID	CHEBI:229115
ChEBI Name	Erychrozol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H52O13
Net Charge	0
Average Mass	668.777
Monoisotopic Mass	668.34079
SMILES	C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)C4CC[C@]5(C)C(C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C34H52O13/c1-17-29(47-30-28(40)27(39)24(37)15-44-30)23(36)12-26(45-17)46-19-3-8-32(16-35)21-4-7-31(2)20(18-11-25(38)43-14-18)6-10-34(31,42)22(21)5-9-33(32,41)13-19/h11,17,19-24,26-30,35-37,39-42H,3-10,12-16H2,1-2H3/t17-,19+,20?,21?,22?,23+,24-,26+,27+,28-,29-,30+,31-,32+,33+,34+/m1/s1
InChIKey	WDAWHSXOXNKHHI-MQDLSUFXSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Erychrozol (CHEBI:229115) is a cardenolide glycoside (CHEBI:38092)

IUPAC Name
3-[(3S,5S,10R,13R,14S)-5,14-dihydroxy-10-(hydroxymethyl)-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-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