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N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM12409

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₂₀H₂₈N₃O₉

charge

-1

mass

454.1831

reference

chebi:149593

InChIKey

FXIUYHSBLDKCJD-UHFFFAOYSA-M

InChI

InChI=1S/C20H29N3O9/c24-14-5-4-13(10-15(14)25)18(29)23-9-3-7-21-6-1-2-8-22-16(26)11-20(32,19(30)31)12-17(27)28/h4-5,10,21,24-25,32H,1-3,6-9,11-12H2,(H,22,26)(H,23,29)(H,27,28)(H,30,31)/p-1

SMILES

O=C([O-])CC(O)(CC(=O)NCCCC[NH2+]CCCNC(=O)c1ccc(O)c(O)c1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:149593 chebi:149593	N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine (1-)
seed.compound:cpd22966 seedM:cpd22966	3,4-dihydroxybenzoate-spermidine-citrate 3,4-dihydroxybenzoyl-citryl-spermidine DHB-spermidine-citrate N1-(3,4-dihydroxybenzoyl)-N8-citryl-spermidine
kegg.compound:C20952 keggC:C20952	N1-(3,4-Dihydroxybenzoyl)-N8-citryl spermidine 3,4-Dihydroxybenzoyl-citryl-spermidine
metacyc.compound:CPD-11477 metacycM:CPD-11477	N1-(3,4-dihydroxybenzoyl)-N8-citryl-spermidine 3,4-dihydroxybenzoate-spermidine-citrate 3,4-dihydroxybenzoyl-citryl-spermidine DHB-spermidine-citrate
keggC:M_C20952 seedM:M_cpd22966	secondary/obsolete/fantasy identifier