CHEBI:61516 - N¹,N⁵-dihydroxyferuloyl-N¹⁰-sinapoyl spermidine

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ChEBI Name N1,N5-dihydroxyferuloyl-N10-sinapoyl spermidine ChEBI ID CHEBI:61516 ChEBI ASCII Name N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine Definition A spermidine hydroxycinnamic acid conjugate in which N-1 and N-5 of spermidine have formed amide bonds with a molecule each of 5-hydroxyferulic acid and N-10 has formed an amide bond with sinapic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C38H45N3O12 Net Charge 0 Average Mass 735.77680 Monoisotopic Mass 735.30032 InChI InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-34(45)40-15-7-17-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)16-6-5-14-39-33(44)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 BIYOYDFZENIVGB-FOXWYSRTSA-N SMILES COc1cc(\C=C\C(=O)NCCCN(CCCCNC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)C(=O)\C=C\c2cc(O)c(O)c(OC)c2)cc(O)c1O ChEBI Ontology Outgoing N1,N5-dihydroxyferuloyl-N10-sinapoyl spermidine (CHEBI:61516) has functional parent trans-sinapic acid (CHEBI:15714) N1,N5-dihydroxyferuloyl-N10-sinapoyl spermidine (CHEBI:61516) has functional parent ferulic acid (CHEBI:17620) N1,N5-dihydroxyferuloyl-N10-sinapoyl spermidine (CHEBI:61516) is a spermidine hydroxycinnamic acid conjugate (CHEBI:61233) IUPAC Name (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}propyl)-N-(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino}butyl)prop-2-enamide Manual Xref Database C18073 KEGG COMPOUND View more database links Citation Type Source 19077165 PubMed citation Europe PMC Last Modified 28 July 2014