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N(1),N(8)-bis[(E)-sinapoyl]-spermidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM146596

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

formula

C₂₉H₄₀N₃O₈

charge

mass

558.28099

reference

chebi:85006

InChIKey

PMOOGLRNGWRADJ-GFULKKFKSA-O

InChI

InChI=1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/p+1/b10-8+,11-9+

SMILES

COc1cc(/C=C/C(=O)NCCCC[NH2+]CCCNC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85006 chebi:85006	N(1),N(8)-bis[(E)-sinapoyl]-spermidine N(1),N(8)-bis(sinapoyl)-spermidine(1+)
CHEBI:85300 chebi:85300	N(1),N(8)-bis(sinapoyl)-spermidine
kegg.compound:C21170 keggC:C21170	N1,N8-Bis(sinapoyl)spermidine N1,N10-Disinapoyl spermidine
metacyc.compound:CPD-17698 metacycM:CPD-17698 seed.compound:cpd33645 seedM:cpd33645	N1,N8-bis(sinapoyl)-spermidine
keggC:M_C21170 seedM:M_cpd33645	secondary/obsolete/fantasy identifier