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

PropertiesImage
MNX_IDMNXM166389 Image of MNXM166389
referencechebi:136970
formulaC24H29O9
global charge-1
mol weight461.487
InChIKeyXSEHSKUBWMKIFT-ATASCAFHSA-M
InChIInChI=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
SMILESC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)C(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C(O)C=C4
MNX internals
InChI (mnx)InChI=1/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)/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1 Image of MNXM166389
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:8][C@@H:11]3[C:10]4=[CH:4][CH:6]=[C:15]([OH:25])[C:20]([O:32][C@H:23]5[C@H:19]([OH:29])[C@@H:17]([OH:27])[C@H:18]([OH:28])[C@@H:21]([C:22](=[O:30])[OH:31])[O:33]5)=[C:13]4[CH2:3][CH2:2][C@H:12]3[C@@H:14]1[CH2:5][CH2:7][C:16]2=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136970
chebi:136970
XSEHSKUBWMKIFT-ATASCAFHSA-M 		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
XSEHSKUBWMKIFT-ATASCAFHSA-N 		4-Hydroxyestrone O-glucuronide

CHEBI:137961
chebi:137961
XSEHSKUBWMKIFT-ATASCAFHSA-N 		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

SLM:000597809
slm:000597809
XSEHSKUBWMKIFT-ATASCAFHSA-M 		estrone 4-O-(beta-D-glucuronate)