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Ceanothine B

Properties

Image

Occurences in reactions

MNX_ID

MNXM45929

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

formula

C₂₉H₃₆N₄O₄

charge

mass

504.27366

reference

chebi:3476

InChIKey

IDZLSIWTJUALRQ-JKNOKTCPSA-N

InChI

InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1

SMILES

CC(C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd06891 seedM:cpd06891 CHEBI:3476 chebi:3476 kegg.compound:C10001 keggC:C10001	Ceanothine B
hmdb:HMDB0029339	Ceanothine B 1-Methyl-N-[3-(1-methylethyl)-5,8-dioxo-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-2-pyrrolidinecarboxamide, 9ci N-[(10Z)-7-Benzyl-5,8-dihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-methylpyrrolidine-2-carboximidate N-[(10Z)-7-benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide N-[(10Z)-7-benzyl-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide
hmdb:HMDB29339 keggC:M_C10001 seedM:M_cpd06891	secondary/obsolete/fantasy identifier