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Roquefortine C

MNXM130356 is deprecated and replaced by MNXM1100969

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100969

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₂₂H₂₃N₅O₂

charge

mass

389.18517

reference

keggC:C22165

InChIKey

SPWSUFUPTSJWNG-CXUHLZMHSA-N

InChI

InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+

SMILES

C=CC(C)(C)C12CC3C(=O)N/C(=C/c4c[nH]cn4)C(=O)N3C1Nc1ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C22165 keggC:C22165	Roquefortine C
hmdb:HMDB0030381	Roquefortine (4E)-4-(1H-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-dione Isoroquefortine C Roquefortin Roquefortine C
metacyc.compound:CPD-17381 metacycM:CPD-17381 seed.compound:cpd36047 seedM:cpd36047	roquefortine C
hmdb:HMDB30381 keggC:M_C22165 seedM:M_cpd36047	secondary/obsolete/fantasy identifier