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N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM12320

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₃₈H₄₅N₃O₁₂

charge

mass

735.30032

reference

chebi:61516

InChIKey

BIYOYDFZENIVGB-FOXWYSRTSA-N

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+

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61516 chebi:61516	N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine (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
kegg.compound:C18073 keggC:C18073	N1,N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine
seed.compound:cpd18055 seedM:cpd18055	N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine
keggC:M_C18073 seedM:M_cpd18055	secondary/obsolete/fantasy identifier