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glandicoline B

MNXM147476 is deprecated and here replaced by MNXM1363716
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363716 Image of MNXM1363716
referencechebi:134347
formulaC22H21N5O4
global charge0
mol weight419.441
InChIKeyYEVSOYBNHBOQJZ-GCTRCSCRSA-N
InChIInChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m1/s1
SMILESC=CC(C)(C)[C@]12C=C(O)C(=O)N3/C(=C/C4=CNC=N4)C(=O)N[C@@]31N(O)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m1/s1 Image of MNXM1363716
SMILES (mnx)[CH2:1]=[CH:4][C:20]([CH3:2])([CH3:3])[C@:21]12[CH:10]=[C:17]([OH:28])[C:19](=[O:30])[N:26]3/[C:16](=[CH:9]/[C:13]4=[CH:11][N:23]=[CH:12][NH:24]4)[C:18]([OH:29])=[N:25][C@:22]13[N:27]([OH:31])[C:15]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:14]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134347
chebi:134347
YEVSOYBNHBOQJZ-GCTRCSCRSA-N 		glandicoline B
(3E,7aS,12aR)-6,12-dihydroxy-3-[(1H-imidazol-4-yl)methylidene]-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

kegg.compound:C22167
keggC:C22167
YEVSOYBNHBOQJZ-CXUHLZMHSA-N 		Glandicoline B

metacyc.compound:CPD-17390
metacycM:CPD-17390
YEVSOYBNHBOQJZ-CXUHLZMHSA-N 		glandicoline B

keggC:M_C22167 		secondary/obsolete/fantasy identifier