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Enterolactone 3'-glucuronide

PropertiesImage
MNX_IDMNXM1129948 Image of MNXM1129948
referencehmdb:HMDB0240377
formulaC24H26O10
global charge0
mol weight474.462
InChIKeyYIGJPNKBAAZMPC-NBSJFAFNSA-N
InChIInChI=1S/C24H26O10/c25-15-5-1-3-12(8-15)7-14-11-32-23(31)17(14)10-13-4-2-6-16(9-13)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17+,18+,19+,20-,21+,24-/m1/s1
SMILESO=C1OC[C@@H](CC2=CC(O)=CC=C2)[C@@H]1CC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1
MNX internals
InChI (mnx)InChI=1/C24H26O10/c25-15-5-1-3-12(8-15)7-14-11-32-23(31)17(14)10-13-4-2-6-16(9-13)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17+,18+,19+,20-,21+,24-/m1/s1 Image of MNXM1129948
SMILES (mnx)[CH:1]1=[CH:3][C:12]([CH2:7][C@@H:14]2[CH2:11][O:32][C:23](=[O:31])[C@H:17]2[CH2:10][C:13]2=[CH:9][C:16]([O:33][C@H:24]3[C@H:20]([OH:28])[C@@H:18]([OH:26])[C@H:19]([OH:27])[C@@H:21]([C:22](=[O:29])[OH:30])[O:34]3)=[CH:6][CH:2]=[CH:4]2)=[CH:8][C:15]([OH:25])=[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
hmdb:HMDB0240377
YIGJPNKBAAZMPC-NBSJFAFNSA-N
Enterolactone 3'-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-{[(3S,4S)-4-[(3-hydroxyphenyl)methyl]-2-oxooxolan-3-yl]methyl}phenoxy)oxane-2-carboxylic acid
Enterolactone glucuronide
Enterolactone monoglucuronide