(2S,3S,4R,5S,6R)-6-({3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143500)

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CHEBI:143500 - (2S,3S,4R,5S,6R)-6-({3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:143500
ChEBI Name	(2S,3S,4R,5S,6R)-6-({3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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Submitter	mwilliams
Downloads	Molfile

Formula	C28H38O10
Net Charge	0
Average Mass	534.602
Monoisotopic Mass	534.24650
SMILES	C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)CCC(=O)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C28H38O10/c1-26-9-5-15(29)13-14(26)3-4-16-17(26)6-10-27(2)18(16)7-11-28(27,36)12-8-19(30)37-25-22(33)20(31)21(32)23(38-25)24(34)35/h3-4,13,16-18,20-23,25,31-33,36H,5-12H2,1-2H3,(H,34,35)/t16-,17+,18+,20-,21+,22+,23+,25+,26+,27+,28-/m0/s1
InChIKey	DSXZYMJQBDTXAW-RDZKWATNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S,4R,5S,6R)-6-({3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143500) is a steroid glucosiduronic acid (CHEBI:26763)