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HRE-664

PropertiesImage
MNX_IDMNXM167940 Image of MNXM167940
referencesabiorkM:25096
formulaC15H14N2O6S
global charge0
mol weight350.352
InChIKeyMVTIDDWEBUVRRW-XIDCRBKBSA-N
InChIInChI=1S/C15H14N2O6S/c1-6(18)9-12(20)17-10(14(21)22)15(24-13(9)17)23-8-4-2-7(3-5-8)11(16)19/h2-6,9,13,18H,1H3,(H2,16,19)(H,21,22)/t6-,9+,13-/m1/s1
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(OC3=CC=C(C(N)=O)C=C3)S[C@H]12
MNX internals
InChI (mnx)InChI=1/C15H14N2O6S/c1-6(18)9-12(20)17-10(14(21)22)15(24-13(9)17)23-8-4-2-7(3-5-8)11(16)19/h2-6,9,13,18H,1H3,(H2,16,19)(H,21,22)/t6-,9+,13-/m1/s1 Image of MNXM167940
SMILES (mnx)[CH3:1][C@H:6]([C@H:9]1[C:12](=[O:20])[N:17]2[C:10]([C:14]([OH:21])=[O:22])=[C:15]([O:23][C:8]3=[CH:5][CH:3]=[C:7]([C:11]([NH2:16])=[O:19])[CH:2]=[CH:4]3)[S:24][C@H:13]12)[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:25096
sabiorkM:25096
MVTIDDWEBUVRRW-XIDCRBKBSA-N 		HRE-664