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enterolactone 3'-sulfate

PropertiesImage
MNX_IDMNXM1130001 Image of MNXM1130001
referencechebi:229905
formulaC18H18O7S
global charge0
mol weight378.402
InChIKeyCGSFDOCYHBJLFW-PBHICJAKSA-N
InChIInChI=1S/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1
SMILESO=C1OC[C@@H](CC2=CC(O)=CC=C2)[C@@H]1CC1=CC(OS(=O)(=O)O)=CC=C1
MNX internals
InChI (mnx)InChI=1/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1 Image of MNXM1130001
SMILES (mnx)[CH:1]1=[CH:3][C:12]([CH2:7][C@@H:14]2[CH2:11][O:24][C:18](=[O:20])[C@H:17]2[CH2:10][C:13]2=[CH:9][C:16]([O:25][S:26]([OH:21])(=[O:22])=[O:23])=[CH:6][CH:2]=[CH:4]2)=[CH:8][C:15]([OH:19])=[CH:5]1
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:229905
chebi:229905
CGSFDOCYHBJLFW-PBHICJAKSA-N 		enterolactone 3'-sulfate
[3-[[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]phenyl] hydrogen sulate
hmdb:HMDB0240505
CGSFDOCYHBJLFW-PBHICJAKSA-N 		Enterolactone 3'-sulfate
(3-{[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl}phenyl)oxidanesulfonate
(3-{[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl}phenyl)oxidanesulfonic acid
(3-{[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl}phenyl)oxidanesulphonate
(3-{[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl}phenyl)oxidanesulphonic acid
(3R,4R)-Dihydro-4-[(3-hydroxyphenyl)methyl]-3-[[3-(sulfooxy)phenyl]methyl]-2(3H)-furanone
Enterolactone 3'-sulfuric acid
Enterolactone 3'-sulphate
Enterolactone 3'-sulphuric acid
Enterolactone monosulfate
Enterolactone monosulphate
Enterolactone sulfate
Enterolactone sulphate