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Gama-CEHC-glucuronide

PropertiesImageOccurences in reactions
MNX_IDMNXM163393Image of MNXM163393
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 6
formulaC21H27O10
charge-1
mass439.16097
referencebiggM:CE5854
InChIKeyWUOKWMDSDKXAQY-PKENLYCVSA-M
InChIInChI=1S/C21H28O10/c1-9-10(2)17-11(8-12(9)22)4-6-21(3,31-17)7-5-13(23)29-20-16(26)14(24)15(25)18(30-20)19(27)28/h8,14-16,18,20,22,24-26H,4-7H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,18-,20+,21?/m1/s1
SMILESCc1c([O-])cc2c(c1C)OC(C)(CCC(=O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)CC2
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE5854
biggM:CE5854
Gama-CEHC-glucuronide
biggM:M_CE5854 secondary/obsolete/fantasy identifier