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


and

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




INPUT WORD = C00001242 , 50% or more
[ Metabolite Name : Allicin ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001243 Diallyl disulfide
diallyl disulfide		 88.24
C00001247 Dipropyl disulfide 88.24
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 82.35
C00011400 6-Methyl-5-hepten-2-one 82.35
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol		 82.35
C00034765 Octan-3-one
3-Octanone		 82.35
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-one		 82.35
C00035483 2-Methylbutyl acetate 82.35
C00007400 5-Methylthiopentanaldoxime 78.95
C00035503 4-Nonanol 78.95
C00035504 4-Nonanone 78.95
C00035546 Butyl butyrate 78.95
C00036454 2,4,5,7-Tetrathiaoctane 2-oxide 78.95
C00049076 2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone 78.95
C00000302 Asparagusic acid syn-S-oxide 77.78
C00000307 Asparagusic acid anti-S-oxide 77.78
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 77.78
C00002030 gamma-Coniceine 77.78
C00002031 Coniine
(+)-Coniine		 77.78
C00007610 4-Metyl-5-(beta-hydroxyethyl)thiazole
4-methyl-5-(2hydroxyethyl)thiazole		 77.78
C00028721 Norhygrine
N-Demethylhygrine		 77.78
C00000318 Caprolactam 76.47
C00000395 1,5Z-Octadien-3R-ol 76.47
C00000397 1,5Z-Octadien-3S-ol 76.47
C00001310 Ethyl 2-methylbut-2-enoate 76.47
C00007667 5-Methylsufinylpentyl nitrile 76.47
C00018286 Scorodonin 76.47
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal		 76.47
C00029423 Oct-1-en-3-ol
1-Octen-3-ol		 76.47
C00030220 Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate		 76.47
C00030880 Octanal
n-Octanal		 76.47
C00034761 2E,4Z-Octadienal 76.47
C00034882 Nonane
n-Nonane		 76.47
C00035495 3-Octanol 76.47
C00035500 4-Heptanol 76.47
C00035501 4-Heptanone 76.47
C00035857 Octane
n-Octane		 76.47
C00035928 3,5-Nonadiyne 76.47
C00047246 Iberin 76.47
C00048943 3,4-Dimethyl heptane 76.47
C00011008 4,4-Dimethyl-2-cyclohepten-1-one 75.00
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 73.68
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 73.68
C00007414 2-Ethylhexanoic acid 73.68
C00029463 Nonan-2-one
2-Nonanone		 73.68
C00033589 7-Octene-1,6-diol 73.68
C00034756 (E,E)-2,4-Nonadienal 73.68
C00035612 Ethyl hexanoate
Ethyl caproate		 73.68
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate		 73.68
C00037771 S-allyl-L-cysteine
S-Allylcysteine		 73.68
C00042089 2-Amino-5-chloro-5-hexenoic acid 73.68
C00050239 4-Methylsulfinylbutyl isothiocyanate
Sulforaphane		 73.68
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