hercynine

Chemical Formula:

C₉H₁₅N₃O₂

Molecular Weight:

197.236 Daltons

Monoisotopic Mass:

198.12425177339998 Daltons

SMILES:

C[N+](C)(C)C(CC1(=CNC=N1))C(=O)[O-]

InChI:

1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/t8-/m0/s1

InChIKey:

GPPYTCRVKHULJH-QMMMGPOBSA-N

Synonyms

Databases

MetaCyc: CPD-15280

HMDB: HMDB29422

KEGG: C05575

PubChem (CID): 5459798

ChEBI: 15781

ChemSpider: 4573570

RefMet: N(alpha),N(alpha),N(alpha)-Trimethyl-histidine

Seed: cpd03305

MetaNetX: MNXM2541