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


and

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




INPUT WORD = C00035501 , 50% or more
[ Metabolite Name : 4-Heptanone ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035500 4-Heptanol 100.00
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone		 93.33
C00048247 (S)-2-Heptanol 93.33
C00000318 Caprolactam 87.50
C00000241 Fucoserratene
(3E,5Z)-1,3,5-Octatriene		 86.67
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid		 86.67
C00034880 Heptanal
n-Heptanal		 86.67
C00035700 n-Heptanol 86.67
C00035797 6-Methyl-1-heptene 86.67
C00035853 Cyclohexylmethane
Methylcyclohexane		 86.67
C00035857 Octane
n-Octane		 86.67
C00035881 trans-2,4-hexadienal 86.67
C00048958 Butyl acetate 86.67
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 82.35
C00018286 Scorodonin 82.35
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 82.35
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol		 82.35
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate		 82.35
C00030880 Octanal
n-Octanal		 82.35
C00034761 2E,4Z-Octadienal 82.35
C00034765 3-Octanone
Octan-3-one		 82.35
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-one		 82.35
C00048943 3,4-Dimethyl heptane 82.35
C00000303 Parasorbic acid 81.25
C00036506 2R-Hydroxymethyl-3S-hydroxypyrrolidine
(+)-2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidine		 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
C00001243 Diallyl disulfide
diallyl disulfide		 80.00
C00001244 Diallyl sulfide 80.00
C00001247 Dipropyl disulfide 80.00
C00001413 1-Hexanamine
Hexylamine		 80.00
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal		 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
C00035493 3-Methyl-2-pentanol 80.00
C00035617 Ethyl propanoate
Ethyl propionate		 80.00
C00035779 1,5-Heptadien-3-yne 80.00
C00035792 3-Methyl-1-pentanol
3-Methylbutanol		 80.00
C00036546 3-Hexen-1-ol 80.00
C00039855 N-Methyl-2-pyrrolidone 80.00
C00040580 Tulipalin A 80.00
C00044142 Cyclohexylamine 80.00
C00048948 3-Hexenal 80.00
C00035503 4-Nonanol 78.95
C00035504 4-Nonanone 78.95
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 77.78
C00002030 gamma-Coniceine 77.78
C00002031 Coniine
(+)-Coniine		 77.78
C00010807 2-Isopropylcyclopentanone 77.78
C00028721 Norhygrine
N-Demethylhygrine		 77.78
C00036613 6-Deoxy-fagomine
(-)-6-Deoxy-fagomine		 77.78
C00042802 Ophiocerin A
(-)-Ophiocerin A		 77.78
C00042803 Ophiocerin B
(-)-Ophiocerin B		 77.78
C00042804 Ophiocerin C
(+)-Ophiocerin C		 77.78
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