"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more





INPUT WORD = C00048326 , 50% or more
[ Metabolite Name : Benzene acetonitrile ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00007674 Phenylacetonitrile 100.00
C00001426 Phenethylamine 94.44
C00029532 4-Hydroxy-benzeneacetonitrile
p-Hydroxyphenylacetonitrile
4-Hydroxybenzyl cyanide
90.00
C00002663 2-Phenylethanol
2-Phenylethyl alcohol
Phenethyl alcohol
Phenylethyl alcohol
beta-Phenethyl alcohol
Benzyl ethyl alcohol
Benzeneethanol
88.89
C00007535 Benzeneacetaldehyde
Phenylacetaldehyde
Phenylacetic aldehyde
88.89
C00037855 Styrene 88.89
C00001435 Tyramine 85.00
C00007327 Phenylacetaldoxime 85.00
C00029809 Benzenepropanenitrile 85.00
C00042226 Amphetamine 85.00
C00042776 N-Methyl-beta-phenethylamine 85.00
C00039027 2,3-Dihydrobenzofuran
Dihydrobenzofuran
84.21
C00000776 p-Hydroxybenzyl alcohol 83.33
C00002685 Acetophenone
methyl phenyl ketone
83.33
C00029505 3-Methoxyphenol
m-Methoxyphenol
83.33
C00029528 4-Ethylphenol 83.33
C00029811 Benzenemethanol
Benzyl alcohol
(Hydroxymethyl)benzene
83.33
C00042277 Benzamide 83.33
C00048498 n-Phenylformamide 83.33
C00034140 p-Hydroxymandelonitrile 81.82
C00035930 3-Bromo-4-hydroxyphenylacetonitrile 81.82
C00000211 Phenylglyoxal 80.00
C00000621 Chavicol
p-Hydroxyallylbenzene
80.00
C00000750 Phenylacetic acid
alpha-Phenylacetate
80.00
C00002725 Cinnamaldehyde 80.00
C00007675 Isothiocyanate 80.00
C00029515 2-(4-Hydroxyphenyl)ethanol
4-(2-Hydroxyethyl)phenol
p-Hydroxyphenethyl alcohol
p-Tyrosol
Tyrosol
80.00
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol
80.00
C00032761 Benzyl isothiocyanate
Phenylmethyl isothiocyanate
80.00
C00035115 3-Phenylpropanol
Benzenepropanol
Hydrocinnamic alcohol
80.00
C00035187 (E)-Cinnamaldehyde
trans-Cinnamaldehyde
80.00
C00042390 Cinnamic alcohol
Cinnamyl alcohol
80.00
C00001418 Indole 78.95
C00000207 Benzoic acid 77.78
C00002654 Guaiacol
o-Guaiacol
77.78
C00029459 CID is old! 77.78
C00029533 p-Hydroxybenzyl alcohol
4-Hydroxybenzyl alcohol
Gastrodigenin
4-Methylolphenol
77.78
C00034452 Benzaldehyde 77.78
C00035022 4-Methoxyphenol 77.78
C00035778 1,3-Dimethylbenzene 77.78
C00043309 Benzylamine 77.78
C00001405 Cathine
D-Cathine
77.27
C00001406 D-Cathinone 77.27
C00001408 Dopamine 77.27
C00001425 Octopamine 77.27
C00007672 Phenylacetothiohydroximate 77.27
C00018213 p-Hydroxyphenylacetaldoxime 77.27
C00027432 N-Methyltyramine 77.27
C00042732 Methamphetamine
(+)-Methamphetamine
77.27
C00042759 N,N-Dimethylphenethylamine 77.27
C00042852 p-Hydroxyamphetamine 77.27
C00048938 1-Nitro-2-phenylethane 77.27
C00049943 3'-Bromotyramine 77.27
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