tricaffeoyl spermidine

Chemical Formula:

C₃₄H₃₇N₃O₉

Molecular Weight:

631.681 Daltons

Monoisotopic Mass:

631.2529798022 Daltons

SMILES:

C(NC(C=CC1(C=CC(O)=C(O)C=1))=O)CCN(C(C=CC2(C=CC(O)=C(O)C=2))=O)CCCCNC(=O)C=CC3(=CC(O)=C(O)C=C3)

InChI:

1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+

InChIKey:

ZKNHGZHOGBDPIA-ZOWBABNGSA-N

Synonyms

N¹,N⁵,N¹⁰-tricaffeoyl spermidine

Databases

MetaCyc: CPD-12213

ChEBI: 81478

KEGG: C18070

PubChem (CID): 15241070

Seed: cpd18052

MetaNetX: MNXM6458