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


and

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




INPUT WORD = C00034765 , 50% or more
[ Metabolite Name : 3-Octanone , Octan-3-one ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 100.00
C00035495 3-Octanol
Octan-3-ol		 100.00
C00000395 1,5Z-Octadien-3R-ol 94.12
C00000397 1,5Z-Octadien-3S-ol 94.12
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 94.12
C00018286 Scorodonin 94.12
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 94.12
C00030880 Octanal
n-Octanal		 94.12
C00033589 7-Octene-1,6-diol 89.47
C00035503 4-Nonanol 89.47
C00035504 4-Nonanone 89.47
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone		 88.24
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate		 88.24
C00034761 2E,4Z-Octadienal 88.24
C00034882 Nonane
n-Nonane		 88.24
C00035483 2-Methyl butyl acetate
2-Methylbutyl acetate		 88.24
C00035857 Octane
n-Octane		 88.24
C00035928 3,5-Nonadiyne 88.24
C00048247 (S)-2-Heptanol 88.24
C00048943 3,4-Dimethyl heptane 88.24
C00011008 4,4-Dimethyl-2-cyclohepten-1-one 85.00
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 84.21
C00007414 2-Ethylhexanoic acid 84.21
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 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
C00029463 2-Nonanone
Nonan-2-one		 84.21
C00030828 Nonadienal
Nonanal
n-Nonanal		 84.21
C00030830 Nonanol
n-Nonanol
1-Nonanol		 84.21
C00034756 (E,E)-2,4-Nonadienal 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 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate		 84.21
C00048315 alpha-Myrcene 84.21
C00049076 2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone 84.21
C00010859 Isopropylcyclohexane 83.33
C00036613 6-Deoxy-fagomine
(-)-6-Deoxy-fagomine		 83.33
C00000241 Fucoserratene
(3E,5Z)-1,3,5-Octatriene		 82.35
C00000318 Caprolactam 82.35
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid		 82.35
C00001242 Allicin 82.35
C00001310 Ethyl 2-methylbut-2-enoate
Ethyl tiglate		 82.35
C00001374 L-isoleucine 82.35
C00007667 5-Methylsufinylpentyl nitrile 82.35
C00011400 6-Methyl-5-hepten-2-one 82.35
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol		 82.35
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-one		 82.35
C00034880 Heptanal
n-Heptanal		 82.35
C00035116 3-Methyl butyl acetate
Isoamyl acetate
3-Methylbutyl acetate		 82.35
C00035500 4-Heptanol 82.35
C00035501 4-Heptanone 82.35
C00035700 n-Heptanol 82.35
C00035797 6-Methyl-1-heptene 82.35
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol		 82.35
C00048958 Butyl acetate 82.35
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