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Alpha-CEHC-glucuronide

PropertiesImageOccurences in reactions
MNX_IDMNXM739689Image of MNXM739689
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 6
formulaC22H29O10
charge-1
mass453.17662
referencebiggM:CE5853
InChIKeyZYZYJRHWJQUARI-DRLIGIOESA-M
InChIInChI=1S/C22H30O10/c1-9-10(2)18-12(11(3)14(9)24)5-7-22(4,32-18)8-6-13(23)30-21-17(27)15(25)16(26)19(31-21)20(28)29/h15-17,19,21,24-27H,5-8H2,1-4H3,(H,28,29)/p-1/t15-,16+,17-,19-,21+,22?/m1/s1
SMILESCc1c(C)c2c(c(C)c1[O-])CCC(C)(CCC(=O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)O2
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE5853
biggM:CE5853
Alpha-CEHC-glucuronide
biggM:M_CE5853 secondary/obsolete/fantasy identifier