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


and

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





INPUT WORD = C00035778 , 50% or more
[ Metabolite Name : 1,3-Dimethylbenzene , m-Xylene ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035128 3-Methylphenol
m-Cresol
m-Oxytoluene
93.75
C00002671 Resorcinol 87.50
C00037855 Styrene 87.50
C00000776 p-Hydroxybenzyl alcohol 83.33
C00002660 4-Methylcatechol 83.33
C00002661 Orcinol 83.33
C00023719 p-Toluquinone 83.33
C00023720 Toluquinol 83.33
C00002645 4-Methylphenol
p-Cresol
81.25
C00002664 Phenol 81.25
C00029811 Benzenemethanol
Benzyl alcohol
(Hydroxymethyl)benzene
81.25
C00030878 o-Cresol 81.25
C00043309 Benzylamine 81.25
C00007487 2,6-Dichloro-p-benzohydroquinone 80.00
C00010967 beta-Cymene
m-Cymene
1-Methyl-3-(1-methylethyl)benzene
1-Isopropyl-3-methylbenzene
80.00
C00039027 2,3-Dihydrobenzofuran
Dihydrobenzofuran
78.95
C00001426 Phenethylamine 77.78
C00002654 Guaiacol
o-Guaiacol
77.78
C00002663 2-Phenylethanol
2-Phenylethyl alcohol
Phenethyl alcohol
Phenylethyl alcohol
beta-Phenethyl alcohol
Benzyl ethyl alcohol
Benzeneethanol
77.78
C00002665 1,3,5-Trihydroxybenzene
Phloroglucinol
77.78
C00002670 Pyrogallol 77.78
C00002685 Acetophenone
methyl phenyl ketone
Hypnone
77.78
C00007535 Benzeneacetaldehyde
Phenylacetaldehyde
Phenylacetic aldehyde
77.78
C00007674 Phenylacetonitrile 77.78
C00017992 Methylenomycin B 77.78
C00029459 CID is old! 77.78
C00029528 4-Ethylphenol 77.78
C00031480 1,2,4-Trihydroxybenzene 77.78
C00033541 2,4-Dibromophenol 77.78
C00035022 4-Methoxyphenol 77.78
C00036465 2,6-Dibromophenol 77.78
C00048326 Benzene acetonitrile 77.78
C00002636 Anisaldehyde
p-Anisaldehyde
75.00
C00002644 Catechol
Pyrocatechin
Pyrocatechol
75.00
C00002649 Gentisyl alcohol 75.00
C00002656 1,4-Benzenediol
Hydroquinone
4-Hydroxyphenol
75.00
C00007533 2-Aminophenol 75.00
C00007546 Methylbenzoate 75.00
C00007675 Isothiocyanate 75.00
C00018099 3,4-Dihydroxybenzaldehyde
Protocatechualdehyde
Catechaldehyde
75.00
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol
75.00
C00032761 Benzyl isothiocyanate
Phenylmethyl isothiocyanate
75.00
C00034054 Methyl benzoate 75.00
C00034452 Benzaldehyde 75.00
C00036481 2-Bromophenol 75.00
C00036541 3-Bromo-4-hydroxybenzaldehyde 75.00
C00036569 4-Bromophenol 75.00
C00036576 4-Hydroxy-2-methylpyridine 75.00
C00040822 3-Hydroxybenzoic acid 75.00
C00042143 4-Methyl-2-pyridinamine 75.00
C00042226 Amphetamine 75.00
C00042390 Cinnamic alcohol
Cinnamyl alcohol
75.00
C00048480 m-Hydroxybenzoic acid 75.00
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