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


and

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




INPUT WORD = C00035612 , 50% or more
[ Metabolite Name : Ethyl hexanoate , Ethyl caproate ]
Number of matched data : 72

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 94.74
C00007414 2-Ethylhexanoic acid 94.74
C00035503 4-Nonanol 94.74
C00035504 4-Nonanone 94.74
C00035546 Butyl butyrate 94.74
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate		 94.74
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate		 94.74
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 89.47
C00029463 2-Nonanone
Nonan-2-one		 89.47
C00035117 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate		 89.47
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate		 89.47
C00000447 4-Hydroxy-2E-nonenal 85.71
C00035499 4-Decanol 85.71
C00002064 Pinidine 85.00
C00011008 4,4-Dimethyl-2-cyclohepten-1-one 85.00
C00015997 (R)-4-Ethenyltetrahydro-4-hydroxy-2H-pyran-2-one
(-)-Harzialactone B
Harzialactone B		 85.00
C00036318 (+)-Physoperuvine 85.00
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 84.21
C00007420 alpha-Ketopantoate 84.21
C00007476 5-(Methylthio)-2-oxo-pentanoic acid 84.21
C00010303 2,6-Dimethyl-1,3,5,7-octatetraenene
(E,E)-Cosmene
Cosmene		 84.21
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 84.21
C00010306 (E)-3,7-Dimethyl-1,3,7-octatriene 84.21
C00010307 (Z)-3,7-Dimethyl-1,3,7-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
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate		 84.21
C00030828 Nonadienal
Nonanal
n-Nonanal		 84.21
C00030830 Nonanol
n-Nonanol
1-Nonanol		 84.21
C00030880 Octanal
n-Octanal		 84.21
C00034756 (E,E)-2,4-Nonadienal 84.21
C00034765 3-Octanone
Octan-3-one		 84.21
C00034882 Nonane
n-Nonane		 84.21
C00035116 3-Methyl butyl acetate
Isoamyl acetate
3-Methylbutyl acetate		 84.21
C00035483 2-Methyl butyl acetate
2-Methylbutyl acetate		 84.21
C00035495 3-Octanol
Octan-3-ol		 84.21
C00035928 3,5-Nonadiyne 84.21
C00042089 2-Amino-5-chloro-5-hexenoic acid 84.21
C00001303 Chalcogran 82.61
C00003074 Boschnialactone 82.61
C00010615 Mitsugashiwalactone 82.61
C00010616 Onikulactone 82.61
C00035613 Ethyl octanoate
Ethyl caprylate		 82.61
C00001318 gamma-Nonalactone
gamma-Nonanolactone
gamma-muurolol		 81.82
C00001199 Pimelic acid 80.95
C00002120 Supinidine 80.95
C00002299 Physoperuvine 80.95
C00007594 Dihomomethionine 80.95
C00007648 2-Oxo-6-methylthiohexanoic acid
6-Methylthio-2-oxohexanoic acid		 80.95
C00010289 (+)-1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane
(R)-(+)-Frontalin		 80.95
C00010312 (+)-2,6-Dimethyloct-7-en-4-one
(S)-3,7-Dimethyl-1-octen-5-one		 80.95
C00010338 7-Methyl-3-methylene-1-octanol
Bupleurol		 80.95
C00010353 Isolyratol
2,5-Dimethyl-4-vinyl-1,5-hexadien-3-ol		 80.95
C00011055 (2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol 80.95
C00011056 5,6-Dimethyl-5-norbornen-exo-2-ol 80.95
C00026165 7alpha-Hydroxy-1-methylene-8alpha-pyrrolizidine 80.95
C00026172 7beta-Hydroxy-1-methylene-8alpha-pyrrolizidine 80.95
C00029453 2-Decanol
2-Hydroxydecane		 80.95
C00029610 9-Decen-1-ol 80.95
C00030804 CID is old! 80.95
C00034502 epi-Isolyratol 80.95
C00034552 Isolyratone 80.95
C00035042 alpha-Linalool 80.95
C00035188 (Z)-Tagetone 80.95
C00036340 (2E)-2,6-Dimethyl-2,5-heptadienoic acid 80.95
C00036479 2alpha,7beta-Dihydroxynortropane 80.95
C00036497 2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol 80.95
C00037116 Erycibelline 80.95
C00042393 cis-4-Decenal 80.95
C00050344 Cleroindicin A 80.95
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