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Equol 4'-O-glucuronide

Image of MNXM125337
Properties
MNX_IDMNXM125337
formulaC21H21O9
charge-1
mass417.3866
referencehmdb:HMDB41731
InChIKeyVIKIIYUHWNDRNI-LVEHSUOCSA-M
InChIInChI=1S/C21H22O9/c22-13-4-1-11-7-12(9-28-15(11)8-13)10-2-5-14(6-3-10)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/p-1/t12-,16+,17+,18-,19+,21-/m1/s1
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)[C@H]2COc3cc(O)ccc3C2)O[C@@H]([C@H]1O)C([O-])=O

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Occurrences of Equol 4'-O-glucuronide in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB41731 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(3S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]phenoxy}oxane-2-carboxylic acid
Equol 4'-O-glucuronide