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


and

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




INPUT WORD = C00035857 , 50% or more
[ Metabolite Name : Octane , n-Octane ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00000241 Fucoserratene
(3E,5Z)-1,3,5-Octatriene		 93.33
C00034880 Heptanal
n-Heptanal		 93.33
C00035700 n-Heptanol 93.33
C00035797 6-Methyl-1-heptene 93.33
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 88.24
C00018286 Scorodonin 88.24
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 88.24
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 88.24
C00030880 Octanal
n-Octanal		 88.24
C00034765 3-Octanone
Octan-3-one		 88.24
C00034882 Nonane
n-Nonane		 88.24
C00035495 3-Octanol
Octan-3-ol		 88.24
C00035928 3,5-Nonadiyne 88.24
C00001243 Diallyl disulfide
diallyl disulfide		 86.67
C00001247 Dipropyl disulfide 86.67
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone		 86.67
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal		 86.67
C00035500 4-Heptanol 86.67
C00035501 4-Heptanone 86.67
C00035853 Cyclohexylmethane
Methylcyclohexane		 86.67
C00048247 (S)-2-Heptanol 86.67
C00002030 gamma-Coniceine 83.33
C00002031 Coniine
(+)-Coniine		 83.33
C00010859 Isopropylcyclohexane 83.33
C00042095 2-Cyclohexylethylamine 83.33
C00000395 1,5Z-Octadien-3R-ol 82.35
C00000397 1,5Z-Octadien-3S-ol 82.35
C00011400 6-Methyl-5-hepten-2-one 82.35
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol		 82.35
C00034761 2E,4Z-Octadienal 82.35
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-one		 82.35
C00000318 Caprolactam 81.25
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal		 80.00
C00000354 (E)-2-Hexenol
trans-2-Hexenol		 80.00
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol		 80.00
C00000357 Hexanal
n-Hexanal
Hexenal		 80.00
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol		 80.00
C00001244 Diallyl sulfide 80.00
C00001413 1-Hexanamine
Hexylamine		 80.00
C00035479 2-Hexen-1-ol 80.00
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal		 80.00
C00035484 2-methylhexane 80.00
C00035779 1,5-Heptadien-3-yne 80.00
C00036546 3-Hexen-1-ol 80.00
C00044142 Cyclohexylamine 80.00
C00048948 3-Hexenal 80.00
C00048958 Butyl acetate 80.00
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 78.95
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 78.95
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal
trans-2-Nonen-1-al		 78.95
C00029463 2-Nonanone
Nonan-2-one		 78.95
C00030828 Nonadienal
Nonanal
n-Nonanal		 78.95
C00030830 Nonanol
n-Nonanol
1-Nonanol		 78.95
C00033589 7-Octene-1,6-diol 78.95
C00034756 (E,E)-2,4-Nonadienal 78.95
C00035503 4-Nonanol 78.95
C00035504 4-Nonanone 78.95
C00048315 alpha-Myrcene 78.95
C00048375 Decane 78.95
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