dihydroxyferuloyl-sinapoyl spermidine

Chemical Formula:

C₃₈H₄₅N₃O₁₂

Molecular Weight:

735.786 Daltons

Monoisotopic Mass:

735.3003239253 Daltons

SMILES:

COC1(C(O)=C(O)C=C(C=1)C=CC(=O)NCCCCN(CCCNC(C=CC2(C=C(OC)C(O)=C(OC)C=2))=O)C(=O)C=CC3(C=C(O)C(O)=C(OC)C=3))

InChI:

1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-33(44)39-14-5-6-16-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)17-7-15-40-34(45)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+

InChIKey:

FDECXSCMWXHRNU-FOXWYSRTSA-N

Synonyms

N',N''-bis(5-hydroxyferuloyl)-N'''-sinapoylspermidine

Databases

MetaCyc: CPD-11668

PubChem (CID): 44237378

Seed: cpd23047

MetaNetX: MNXM93353