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4-Hydroxyestrone sulfate

PropertiesImage
MNX_IDMNXM37529 Image of MNXM37529
referencechebi:175692
formulaC18H22O6S
global charge0
mol weight366.435
InChIKeyQIJNCQNMZUTUIF-KQWCVQSUSA-N
InChIInChI=1S/C18H22O6S/c1-18-9-8-11-10-4-6-15(24-25(21,22)23)17(20)13(10)3-2-12(11)14(18)5-7-16(18)19/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11?,12?,14?,18-/m1/s1
SMILESC[C@@]12CCC3C4=C(CCC3C1CCC2=O)C(O)=C(OS(=O)(=O)O)C=C4
MNX internals
InChI (mnx)InChI=1/C18H22O6S/c1-18-9-8-11-10-4-6-15(24-25(21,22)23)17(20)13(10)3-2-12(11)14(18)5-7-16(18)19/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11?,12?,14?,18-/m1/s1 Image of MNXM37529
SMILES (mnx)[CH3:1][C@@:18]12[CH2:9][CH2:8][CH:11]3[C:10]4=[CH:4][CH:6]=[C:15]([O:24][S:25]([OH:21])(=[O:22])=[O:23])[C:17]([OH:20])=[C:13]4[CH2:3][CH2:2][CH:12]3[CH:14]1[CH2:5][CH2:7][C:16]2=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175692
chebi:175692
QIJNCQNMZUTUIF-KQWCVQSUSA-N 		4-Hydroxyestrone sulfate
[(13R)-4-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
hmdb:HMDB0012779
QIJNCQNMZUTUIF-KQWCVQSUSA-N 		4-Hydroxyestrone sulfate
1,3,5(10)-Triene-3,4-diol-17-one 3-sulfate
1,3,5(10)-Triene-3,4-diol-17-one 3-sulphate
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulfate
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulphate
4-Hydroxyestrone sulfuric acid
4-Hydroxyestrone sulphate
4-Hydroxyestrone sulphuric acid
4HEn-3S
Hydroxyticlopidine
M1
[(15R)-6-Hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonate
[(15R)-6-Hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxidanesulphonate
[(15R)-6-Hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxidanesulphonic acid
[(15R)-6-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid

hmdb:HMDB12779 		secondary/obsolete/fantasy identifier