clavaminate

Chemical Formula:

C₈H₁₀N₂O₄

Molecular Weight:

198.178 Daltons

Monoisotopic Mass:

199.0718818519 Daltons

SMILES:

[CH]12(N(C(=O)C1)C(C([O-])=O)C(=CC[N+])O2)

InChI:

1S/C8H10N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h1,6-7H,2-3,9H2,(H,12,13)/b4-1-/t6-,7-/m0/s1

InChIKey:

GQHALSXZONOXGJ-WHJCQOFKSA-N

Synonyms

Databases

MetaCyc: CLAVAMINATE

ChEBI: 57300

PubChem (CID): 25244090

KEGG: C06660

Seed: cpd04063

MetaNetX: MNXM2359

3DMET: B02124