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Equol 7-O-glucuronide

Image of MNXM125338
Properties
MNX_IDMNXM125338
formulaC21H21O9
charge-1
mass417.3866
referencehmdb:HMDB41732
InChIKeyXDPLKWRSVXUQBN-LVEHSUOCSA-M
InChIInChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)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](Oc2ccc3C[C@H](COc3c2)c2ccc(O)cc2)O[C@@H]([C@H]1O)C([O-])=O

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Occurrences of Equol 7-O-glucuronide in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB41732 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
Equol 7-O-glucuronide