L-isowillardiine

Chemical Formula:

C₇H₉N₃O₄

Molecular Weight:

199.166 Daltons

Monoisotopic Mass:

200.067130825 Daltons

SMILES:

C1(=CC(N(C(N1)=O)CC(C(=O)[O-])[N+])=O)

InChI:

1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)/t4-/m0/s1

InChIKey:

AZSWUZQIIMMKOZ-BYPYZUCNSA-N

Synonyms

Databases

MetaCyc: ISOWILLARDIINE

PubChem (CID): 90658308 167983

HMDB: HMDB30376

ChemSpider: 146944

KEGG: C08289

RefMet: Isowillardiine

Seed: cpd05204

MetaNetX: MNXM18779

ChEBI: 6072