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glandicoline B

MNXM147476 is deprecated and here replaced by MNXM1100881
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100881

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₂₂H₂₁N₅O₄

charge

mass

419.15935

reference

chebi:134347

InChIKey

YEVSOYBNHBOQJZ-GCTRCSCRSA-N

InChI

InChI=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

SMILES

C=CC(C)(C)[C@]12C=C(O)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@@]31N(O)c1ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134347 chebi:134347	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	Glandicoline B
metacyc.compound:CPD-17390 metacycM:CPD-17390 seed.compound:cpd35466 seedM:cpd35466	glandicoline B
keggC:M_C22167 seedM:M_cpd35466	secondary/obsolete/fantasy identifier