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estrone 4-O-(beta-D-glucuronate)

Properties

Image

Occurences in reactions

MNX_ID

MNXM166389

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₄H₂₉O₉

charge

-1

mass

461.18171

reference

chebi:136970

InChIKey

XSEHSKUBWMKIFT-ATASCAFHSA-M

InChI

InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1

SMILES

C[C@]12CC[C@@H]3c4ccc(O)c(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)c4CC[C@H]3[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136970 chebi:136970	estrone 4-O-(beta-D-glucuronate) 3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl beta-D-glucopyranosiduronate 4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-) 4-hydroxyestrone 4-beta-D-glucuronide(1-) 4-hydroxyestrone 4-beta-glucuronide(1-) 4-hydroxyestrone 4-glucuronide(1-) 4OHE1 4G(1-)
sabiork.compound:21042 sabiorkM:21042	4-Hydroxyestrone O-glucuronide
CHEBI:137961 chebi:137961	4-hydroxyestrone 4-O-(beta-D-glucuronide) 3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl beta-D-glucopyranosiduronic acid 4-OHE1 4G 4-hydroxyestrone 4-O-(beta-D-glucuronic acid) 4-hydroxyestrone 4-O-glucuronide 4-hydroxyestrone 4-beta-D-glucuronide 4-hydroxyestrone 4-beta-glucuronide 4-hydroxyestrone 4-glucuronide