clavaldehyde

Chemical Formula:

C₈H₆NO₅

Molecular Weight:

196.139 Daltons

Monoisotopic Mass:

197.0324223404 Daltons

SMILES:

C(=O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))

InChI:

1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1

InChIKey:

NABDJFSYSZIMMH-PBFISZAISA-M

Synonyms

Databases

MetaCyc: CPD-9260

RefMet: Clavulanate-9-aldehyde

ChEBI: 78625

PubChem (CID): 86289608 15517793

KEGG: C06661

Seed: cpd04064

MetaNetX: MNXM3239