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Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide]

PropertiesImageOccurences in reactions
MNX_IDMNXM144997Image of MNXM144997
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC40H40O23
charge0
mass888.19604
referencehmdb:HMDB0039907
InChIKeyTUGAMOQNDVOVML-AATRIKPKSA-N
InChIInChI=1S/C40H40O23/c1-54-21-7-14(8-22(55-2)27(21)44)5-6-25(43)60-35-31(48)29(46)34(38(52)53)62-40(35)63-36-32(49)30(47)33(37(50)51)61-39(36)58-16-11-17(41)26-18(42)13-19(59-20(26)12-16)15-9-23(56-3)28(45)24(10-15)57-4/h5-13,29-36,39-41,44-49H,1-4H3,(H,50,51)(H,52,53)/b6-5+
SMILESCOc1cc(/C=C/C(=O)OC2C(OC3C(Oc4cc(O)c5c(=O)cc(-c6cc(OC)c(O)c(OC)c6)oc5c4)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)cc(OC)c1O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0039907 Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide]
6-[(6-Carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl)oxy]-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylate
6-[(6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl)oxy]-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
6-[(6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-3-yl)oxy]-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
hmdb:HMDB39907 secondary/obsolete/fantasy identifier