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(S)-Edulinine

Properties

Image

Occurences in reactions

MNX_ID

MNXM115455

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

formula

C₁₆H₂₁NO₄

charge

mass

291.14706

reference

InChIKey

NHNXJYYEQLVCAZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3

SMILES

COc1c(CC(O)C(C)(C)O)c(=O)n(C)c2ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174088 chebi:174088	(S)-Edulinine 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one
hmdb:HMDB0030178	(S)-Edulinine (+)-(R)-Edulinine (+)-Edulinine (R)-(+)-Edulinine 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-1,2-dihydroquinolin-2-one 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one Edulinine
hmdb:HMDB30178	secondary/obsolete/fantasy identifier