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trigalacturonate

PropertiesImageOccurences in reactions
MNX_IDMNXM169296Image of MNXM169296
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
formulaC18H21O18
charge-3
mass525.07443
referencemetacycM:CPD-10309
InChIKeyOJSLFVXSYWEYPC-KPCFHAMBSA-K
InChIInChI=1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/p-3/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16?,17+,18-/m0/s1
SMILESO=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)[O-])O[C@H](O[C@H]3[C@@H](C(=O)[O-])OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-10309
metacycM:CPD-10309
seed.compound:cpd22633
seedM:cpd22633
trigalacturonate
sabiork.compound:26576
sabiorkM:26576
Trigalacturonate
seedM:M_cpd22633 secondary/obsolete/fantasy identifier