(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde (CHEBI:95181)

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CHEBI:95181 - (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde

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ChEBI ID	CHEBI:95181
ChEBI Name	(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
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Last Modified	17 March 2016
Downloads	Molfile

Formula	C23H32O6
Net Charge	0
Average Mass	404.503
Monoisotopic Mass	404.21989
SMILES	C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CCC2C1=CC(=O)OC1
InChI	InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16?,17?,18?,20+,21-,22-,23-/m0/s1
InChIKey	ODJLBQGVINUMMR-VJHNTTCYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde (CHEBI:95181) is a cardenolides (CHEBI:74634)
	(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde (CHEBI:95181) is a steroid aldehyde (CHEBI:131565)

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