MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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thalifolin

	Properties	Image
MNX_ID	MNXM113498
reference	chebi:67409
formula	C₁₁H₁₃NO₃
global charge	0
mol weight	207.229
InChIKey	WPKMGEQXTYQXGI-UHFFFAOYSA-N
InChI	InChI=1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h5-6,13H,3-4H2,1-2H3
SMILES	COC1=CC2=C(C=C1O)C(=O)N(C)CC2

MNX internals

InChI (mnx)	InChI=1/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h5-6,13H,3-4H2,1-2H3
SMILES (mnx)	[CH3:1][N:12]1[CH2:4][CH2:3][C:7]2=[CH:5][C:10]([O:15][CH3:2])=[C:9]([OH:13])[CH:6]=[C:8]2[C:11]1=[O:14]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67409 chebi:67409 WPKMGEQXTYQXGI-UHFFFAOYSA-N	thalifolin 7-Hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one