triferuloyl spermidine

Chemical Formula:

C₃₇H₄₃N₃O₉

Molecular Weight:

673.761 Daltons

Monoisotopic Mass:

673.2999299948 Daltons

SMILES:

COC1(=CC(=CC=C(O)1)C=CC(=O)NCCCN(C(C=CC2(C=C(OC)C(O)=CC=2))=O)CCCCNC(=O)C=CC3(=CC=C(O)C(=C3)OC))

InChI:

1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+

InChIKey:

KMJWIBDYGUTEFB-WLJYFSRTSA-N

Synonyms

N¹,N⁵,N¹⁰-triferuloyl spermidine

Databases

MetaCyc: CPD-12214

ChEBI: 81479

KEGG: C18071

PubChem (CID): 46173191

Seed: cpd18053

MetaNetX: MNXM6459