N-caffeoylputrescine

Chemical Formula:

C₁₃H₁₉N₂O₃

Molecular Weight:

251.305 Daltons

Monoisotopic Mass:

251.13956748660001 Daltons

SMILES:

C(CCCNC(=O)C=CC1(C=CC(=C(C=1)O)O))[N+]

InChI:

1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/p+1/b6-4+

InChIKey:

KTZNZCYTXQYEHT-GQCTYLIASA-O

Databases

MetaCyc: CPD-411

RefMet: N-caffeoylputrescine

HMDB: HMDB29876

ChEBI: 58138

PubChem (CID): 25245966

KEGG: C03002

Seed: cpd01925

MetaNetX: MNXM4726