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


and

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




INPUT WORD = C00035701 , 50% or more
[ Metabolite Name : 1-Hexyl acetate , n-Hexyl acetate , Hexyl acetate ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate		 100.00
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 94.74
C00029463 2-Nonanone
Nonan-2-one		 94.74
C00035546 Butyl butyrate 94.74
C00035612 Ethyl hexanoate
Ethyl caproate		 94.74
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate		 94.74
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 89.47
C00007414 2-Ethylhexanoic acid 89.47
C00033589 7-Octene-1,6-diol 89.47
C00034756 (E,E)-2,4-Nonadienal 89.47
C00035503 4-Nonanol 89.47
C00035504 4-Nonanone 89.47
C00001318 gamma-Nonalactone
gamma-Nonanolactone
gamma-muurolol		 86.36
C00000447 4-Hydroxy-2E-nonenal 85.71
C00029453 2-Decanol
2-Hydroxydecane		 85.71
C00030829 Nonanoic acid
Pelargonic acid
n-Nonanoic acid		 85.71
C00034760 2-Decanone 85.71
C00002047 (-)-Hygroline
Hygroline		 85.00
C00002062 Pelletierine
(-)-Pelletierine		 85.00
C00002064 Pinidine 85.00
C00015997 (R)-4-Ethenyltetrahydro-4-hydroxy-2H-pyran-2-one
(-)-Harzialactone B
Harzialactone B		 85.00
C00046982 (+)-Allosedridine 85.00
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 84.21
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 84.21
C00001317 (E,Z)-2,6-Nonadienal
Nona-2,6-dienal
(2E,6Z)-Nona-2,6-dienal		 84.21
C00007476 5-(Methylthio)-2-oxo-pentanoic acid 84.21
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 84.21
C00018286 Scorodonin 84.21
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 84.21
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal
trans-2-Nonen-1-al		 84.21
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 84.21
C00030828 Nonadienal
Nonanal
n-Nonanal		 84.21
C00030830 Nonanol
n-Nonanol
1-Nonanol		 84.21
C00030880 Octanal
n-Octanal		 84.21
C00034765 3-Octanone
Octan-3-one		 84.21
C00034882 Nonane
n-Nonane		 84.21
C00035495 3-Octanol
Octan-3-ol		 84.21
C00035928 3,5-Nonadiyne 84.21
C00048315 alpha-Myrcene 84.21
C00048375 Decane 84.21
C00003074 Boschnialactone 82.61
C00010615 Mitsugashiwalactone 82.61
C00010616 Onikulactone 82.61
C00035557 Caprylyl acetate
1-Octyl acetate		 82.61
C00035767 trans-2-Hexenyl butyrate 82.61
C00010470 Junionone 81.82
C00016223 Musacin E
Musacine E		 81.82
C00035509 5-Pentyl-3H-furan-2-one
5-(1-Pentyl)-3H-furan-2-one		 81.82
C00040955 Euscapholide 81.82
C00041754 Phomalactone
(+)-Phomalactone		 81.82
C00048291 5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
(+)-5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one		 81.82
C00050345 Cleroindicin B 81.82
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