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

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resmethrin

	Properties	Image
MNX_ID	MNXM1371742
reference	chebi:8811
formula	C₂₂H₂₆O₃
global charge	0
mol weight	338.447
InChIKey	VEMKTZHHVJILDY-UHFFFAOYSA-N
InChI	InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
SMILES	CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19?,20?
SMILES (mnx)	[CH3:1][C:15]([CH3:2])=[CH:10][CH:19]1[CH:20]([C:21](=[O:23])[O:25][CH2:14][C:17]2=[CH:13][O:24][C:18]([CH2:11][C:16]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)=[CH:12]2)[C:22]1([CH3:3])[CH3:4]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8811 chebi:8811 VEMKTZHHVJILDY-UHFFFAOYSA-N	resmethrin (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate 5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemate 5-Benzyl-3-furylmethyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate Resmethrin
seed.compound:cpd07876 seedM:cpd07876 kegg.compound:C10991 keggC:C10991 VEMKTZHHVJILDY-UHFFFAOYSA-N	Resmethrin
sabiork.compound:13072 sabiorkM:13072 VEMKTZHHVJILDY-UHFFFAOYSA-N	Resmethrin Bioresmethrin
kegg.drug:D08475 keggD:D08475 VEMKTZHHVJILDY-UHFFFAOYSA-N	Resmethrin Durekyl (TN) Ectokyl (TN)
hmdb:HMDB0257162 VEMKTZHHVJILDY-UHFFFAOYSA-N	resmethrin (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropemecarboxylate (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate 5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemate 5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemic acid 5-Benzyl-3-furylmethyl (1Rs,3Rs;1Rs,3Sr)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate 5-Benzyl-3-furylmethyl (1Rs,3Rs;1Rs,3Sr)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid Durekyl Ectokyl Scourge for-syn
keggC:M_C10991 keggD:M_D08475 seedM:M_cpd07876	secondary/obsolete/fantasy identifier