(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid (CHEBI:182617)

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CHEBI:182617 - (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

Default Structure

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ChEBI ID	CHEBI:182617
ChEBI Name	(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32O8
Net Charge	0
Average Mass	448.512
Monoisotopic Mass	448.20972
SMILES	CC12CCC3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CCC3C1CC[C@H]2O
InChI	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18+,19+,20-,21+,23-,24?/m1/s1
InChIKey	MUOHJTRCBBDUOW-IZYQOYKJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid (CHEBI:182617) is a steroid glucosiduronic acid (CHEBI:26763)

IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

Manual Xrefs	Databases
389263	ChemSpider
C04300	KEGG COMPOUND
LMST05010005	LIPID MAPS