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

Feedback

bendiocarb

	Properties	Image
MNX_ID	MNXM43435
reference	chebi:34556
formula	C₁₁H₁₃NO₄
global charge	0
mol weight	223.228
InChIKey	XEGGRYVFLWGFHI-UHFFFAOYSA-N
InChI	InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
SMILES	CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2

MNX internals

InChI (mnx)	InChI=1/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
SMILES (mnx)	[CH3:1][C:11]1([CH3:2])[O:15][C:8]2=[CH:6][CH:4]=[CH:5][C:7]([O:14][C:10](=[N:12][CH3:3])[OH:13])=[C:9]2[O:16]1

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:34556 chebi:34556 XEGGRYVFLWGFHI-UHFFFAOYSA-N	bendiocarb 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate 2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole 2,3-Isopropylidenedioxyphenyl methylcarbamate Bendiocarb
seed.compound:cpd10132 seedM:cpd10132 kegg.compound:C14433 keggC:C14433 XEGGRYVFLWGFHI-UHFFFAOYSA-N	Bendiocarb 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate
hmdb:HMDB0248947 XEGGRYVFLWGFHI-UHFFFAOYSA-N	bendiocarb 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamic acid 2,2-Dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole 2,2-dimethyl-2H-1,3-benzodioxol-4-yl N-methylcarbamate 2,3-Isopropylidenedioxyphenyl methylcarbamate 2,3-Isopropylidenedioxyphenyl methylcarbamic acid FICAM FICAM 80W FICAM W
keggC:M_C14433 seedM:M_cpd10132	secondary/obsolete/fantasy identifier