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tryptoquialanol

Properties

Image

Occurences in reactions

MNX_ID

MNXM148525

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₅H₂₄N₄O₆

charge

mass

476.16958

reference

metacycM:CPD-17888

InChIKey

ONUMRICZJQKTGF-INNWXOGQSA-N

InChI

InChI=1S/C25H24N4O6/c1-13(30)19-26-16-10-6-4-8-14(16)20(31)27(19)18-12-25(35-21(18)32)15-9-5-7-11-17(15)28-22(25)29(34)24(2,3)23(28)33/h4-11,13,18,22,30,34H,12H2,1-3H3/t13-,18+,22-,25-/m0/s1

SMILES

C[C@H](O)c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17888 metacycM:CPD-17888	tryptoquialanol (4'R, 9S,9aS)-1-hydroxy-4'-(2-[(1S)-1-hydroxyethyl]-4-oxo-3,4-dihydroquinazolin-3-yl)-2,2-dimethyl-1,2,3,9a-tetrahydrospiro9imidazolidino(1,2-a] indole-9,2'-oxolane]-3,5'-dione tryptoquialan-27-ol
seed.compound:cpd35354 seedM:cpd35354	(4'R, 9S,9aS)-1-hydroxy-4'-(2-[(1S)-1-hydroxyethyl]-4-oxo-3,4-dihydroquinazolin-3-yl)-2,2-dimethyl-1,2,3,9a-tetrahydrospiro9imidazolidino(1,2-a] indole-9,2'-oxolane]-3,5'-dione tryptoquialan-27-ol tryptoquialanol
seedM:M_cpd35354	secondary/obsolete/fantasy identifier