Chem
J-GLOBAL ID：201007051462484156   Nikkaji number：J2.777.589F

Isoclavulanic acid

イソクラブラン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C8H9NO5
Molecular formula furigana： C8-H9-N-O5
Molecular weight： 199.162
InChI： InChI=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
InChI key： HZZVJAQRINQKSD-INJCQMSSSA-N
SMILES： OC/C=C\1/O[C@@H]2CC(=O)N2[C@H]1C(=O)O
Systematic name  (2)：
  • (2R,3E,5R)-3-(2-ヒドロキシエチリデン)-7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
  • (2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (3)：
  • (2R,3E,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Isoclavulanic acid
  • イソクラブラン酸
CAS registry number： 62319-53-3
KEGG COMPOUND： C11833
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