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MM 4550

PropertiesImageOccurences in reactions
MNX_IDMNXM149112Image of MNXM149112
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC13H16N2O9S2
charge0
mass408.02972
referencekeggC:C20815
InChIKeyOIUMWDNCAIKVGD-CMIIRVISSA-N
InChIInChI=1S/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/b4-3+/t6-,8+,10-,25?/m0/s1
SMILESCC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31372
seedM:cpd31372
kegg.compound:C20815
keggC:C20815
MM 4550
keggC:M_C20815
seedM:M_cpd31372
secondary/obsolete/fantasy identifier