trihydroxyferuloyl spermidine

Chemical Formula:

C₃₇H₄₃N₃O₁₂

Molecular Weight:

721.76 Daltons

Monoisotopic Mass:

721.2846738610999 Daltons

SMILES:

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

InChI:

1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)/b10-7+,11-8+,12-9+

InChIKey:

YVLXSHWZFBDIEL-SRDSWEMOSA-N

Synonyms

N¹,N⁵,N¹⁰-tris-(5-hydroxyferuloyl)spermidine

Databases

MetaCyc: CPD-11667

ChEBI: 81480

KEGG: C18072

PubChem (CID): 44237218

Seed: cpd18054

MetaNetX: MNXM7841