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meleagrin

MNXM106525 is deprecated and here replaced by MNXM1363660
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363660 Image of MNXM1363660
referencechebi:70399
formulaC23H23N5O4
global charge0
mol weight433.468
InChIKeyJTJJJLSLKZFEPJ-WSHSOXHMSA-N
InChIInChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m1/s1
SMILESC=CC(C)(C)[C@]12C=C(O)C(=O)N3/C(=C/C4=CNC=N4)C(=O)N[C@@]31N(OC)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m1/s1 Image of MNXM1363660
SMILES (mnx)[CH2:1]=[CH:5][C:21]([CH3:2])([CH3:3])[C@:22]12[CH:11]=[C:18]([OH:29])[C:20](=[O:31])[N:27]3/[C:17](=[CH:10]/[C:14]4=[CH:12][N:24]=[CH:13][NH:25]4)[C:19]([OH:30])=[N:26][C@:23]13[N:28]([O:32][CH3:4])[C:16]1=[CH:9][CH:7]=[CH:6][CH:8]=[C:15]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70399
chebi:70399
JTJJJLSLKZFEPJ-WSHSOXHMSA-N 		meleagrin
(3E,7aS,12aR)-6-hydroxy-3-(1H-imidazol-4-ylmethylidene)-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
meleagrine

CHEBI:181935
chebi:181935
JTJJJLSLKZFEPJ-LICLKQGHSA-N 		(14E)-11-Hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
(14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

kegg.compound:C22168
keggC:C22168
JTJJJLSLKZFEPJ-LICLKQGHSA-N 		Meleagrin

metacyc.compound:CPD-17391
metacycM:CPD-17391
JTJJJLSLKZFEPJ-LICLKQGHSA-N 		meleagrin
meleagrine

keggC:M_C22168 		secondary/obsolete/fantasy identifier