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


and

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




INPUT WORD = C00001264 , 50% or more
[ Metabolite Name : 1-Octanol , Octan-1-ol , Octanol , n-Octanol ]
Number of matched data : 56

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00018286 Scorodonin 100.00
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal		 100.00
C00030880 Octanal
n-Octanal		 100.00
C00029423 Oct-1-en-3-ol
1-Octen-3-ol		 94.12
C00034761 2E,4Z-Octadienal 94.12
C00034765 Octan-3-one
3-Octanone		 94.12
C00034882 Nonane
n-Nonane		 94.12
C00035495 3-Octanol 94.12
C00035928 3,5-Nonadiyne 94.12
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 89.47
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal		 89.47
C00029463 Nonan-2-one
2-Nonanone		 89.47
C00030828 Nonanal
n-Nonanal
Nonadienal		 89.47
C00030830 Nonanol
n-Nonanol
1-Nonanol		 89.47
C00033589 7-Octene-1,6-diol 89.47
C00034756 (E,E)-2,4-Nonadienal 89.47
C00002030 gamma-Coniceine 88.89
C00002031 Coniine
(+)-Coniine		 88.89
C00042095 2-Cyclohexylethylamine 88.89
C00000395 1,5Z-Octadien-3R-ol 88.24
C00000397 1,5Z-Octadien-3S-ol 88.24
C00011400 6-Methyl-5-hepten-2-one 88.24
C00034880 Heptanal
n-Heptanal		 88.24
C00035700 n-Heptanol 88.24
C00035857 Octane
n-Octane		 88.24
C00048943 3,4-Dimethyl heptane 88.24
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 84.21
C00001317 (E,Z)-2,6-Nonadienal
Nona-2,6-dienal
(2E,6Z)-Nona-2,6-dienal		 84.21
C00007414 2-Ethylhexanoic acid 84.21
C00029344 (Z)-2-Nonen-1-ol 84.21
C00035503 4-Nonanol 84.21
C00035504 4-Nonanone 84.21
C00035546 Butyl butyrate 84.21
C00035612 Ethyl hexanoate
Ethyl caproate		 84.21
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate		 84.21
C00035766 trans-2-Hexenyl acetate 84.21
C00048375 Decane 84.21
C00049076 2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone 84.21
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 83.33
C00000336 1-Cyclohexenylcarboxylic acid 83.33
C00007610 4-Metyl-5-(beta-hydroxyethyl)thiazole
4-methyl-5-(2hydroxyethyl)thiazole		 83.33
C00010807 2-Isopropylcyclopentanone 83.33
C00010859 Isopropylcyclohexane 83.33
C00028721 Norhygrine
N-Demethylhygrine		 83.33
C00000241 Fucoserratene
(3E,5Z)-1,3,5-Octatriene		 82.35
C00000318 Caprolactam 82.35
C00001242 Allicin 82.35
C00001254 Heptan-2-one
Methyl-n-pentyl ketone
2-Heptanone		 82.35
C00001310 Ethyl 2-methylbut-2-enoate 82.35
C00030220 Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate		 82.35
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal		 82.35
C00035483 2-Methylbutyl acetate 82.35
C00035500 4-Heptanol 82.35
C00035501 4-Heptanone 82.35
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol		 82.35
C00048247 (S)-2-Heptanol 82.35
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