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Isoclavulanic acid

MNXM527485 is deprecated and here replaced by MNXM1370126
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370126 Image of MNXM1370126
referencechebi:29607
formulaC8H9NO5
global charge0
mol weight199.162
InChIKeyHZZVJAQRINQKSD-INJCQMSSSA-N
InChIInChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1
SMILESO=C(O)[C@H]1/C(=C\CO)O[C@@H]2CC(=O)N21
MNX internals
InChI (mnx)InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1 Image of MNXM1370126
SMILES (mnx)[CH:1](\[CH2:2][OH:10])=[C:4]1\[C@H:7]([C:8](=[O:12])[OH:13])[N:9]2[C:5](=[O:11])[CH2:3][C@H:6]2[O:14]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd08633
seedM:cpd08633
CHEBI:29607
chebi:29607
kegg.compound:C11833
keggC:C11833
HZZVJAQRINQKSD-INJCQMSSSA-M
HZZVJAQRINQKSD-INJCQMSSSA-N 		Isoclavulanic acid

keggC:M_C11833
seedM:M_cpd08633 		secondary/obsolete/fantasy identifier