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


and

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





INPUT WORD = C00001213 , 50% or more
[ Metabolite Name : Capric acid , Decanoic acid , n-Decanoic acid ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00023984 gamma-Decalactone 95.83
C00030758 2-Undecanone
Undecan-2-one
Methyl nonyl ketone
95.65
C00035557 Caprylyl acetate
1-Octyl acetate
95.65
C00035613 Ethyl octanoate
Ethyl caprylate
95.65
C00035767 trans-2-Hexenyl butyrate 95.65
C00000396 10-Oxo-8E-decenoic acid 92.00
C00007421 Undecanoic acid 92.00
C00035690 Methyl caprate
Methyl decanoate
92.00
C00023985 delta-Decalactone
5-Decanolide
91.67
C00023986 Jasmine lactone
cis-7-Decen-5-olide
91.67
C00001312 (Z)-3,5-Hexadienyl butyrate 91.30
C00001318 gamma-Nonalactone
gamma-Nonanolactone
gamma-muurolol
91.30
C00010363 (E)-Lyratic acid
4-Ethenyl-2,5-dimethyl-2,5-hexadienoic acid
91.30
C00019556 Undecan-1-ol
1-Undecanol
Undecanol
91.30
C00029330 trans-2-Decenal
(E)-2-Decenal
91.30
C00029341 (E,E)-2,4-Decadienal
2-trans,4-trans-Decadienal
FEMA 3135
91.30
C00029610 9-Decen-1-ol 91.30
C00030099 Decanal
n-Decanal
Capraldehyde
91.30
C00030100 1-Decanol
Decanol
n-Decanol
91.30
C00030804 CID is old! 91.30
C00030829 Pelargonic acid
n-Nonanoic acid
Nonanoic acid
91.30
C00032442 Undecanal 91.30
C00035506 4-Undecanol 91.30
C00035507 4-Undecanone 91.30
C00035702 Hexyl butanoate
Hexyl butyrate
n-Hexyl butyrate
91.30
C00045982 Gymnasterkoreayne A
(-)-Gymnasterkoreayne A
91.30
C00049004 Methyl nonanoate 91.30
C00001329 gamma-Undecalactone 88.46
C00023988 3,5-Dihydroxydecanoic acid delta-lactone 88.46
C00040380 Stagonolide F
(-)-Stagonolide F
88.46
C00000158 2Z-Dehydromatricaria ester 88.00
C00001280 Dehydromatricaria ester 88.00
C00001287 Lachnophyllum ester 88.00
C00003086 Iridomyrmecin 88.00
C00007641 Tetrahomomethionine 88.00
C00007643 2-Oxo-8-methylthiooctanoic acid
8-Methylthio-2-octanoic acid
88.00
C00010716 (+)-Teucriumlactone
Allodolicholactone
Teucriumlactone
88.00
C00017114 (+)-Streptenol A
IC 201
Streptenol A
88.00
C00017115 Streptenol B 88.00
C00017116 Streptenol C 88.00
C00017117 Streptenol D 88.00
C00022622 (E,E)-Matricaria ester 88.00
C00029455 2-Dodecanone 88.00
C00036246 (-)-Isochaminic acid 88.00
C00045634 Azelaic acid
Anchoic acid
88.00
C00000754 (R)-Lipoic acid
R-(+)-Thioctic acid
alpha-Lipoic acid
alpha-(+)-Lipoic acid
87.50
C00000838 3,4-Menthone lactone 87.50
C00010365 Marmelolactone B 87.50
C00010870 (+-)-Perrillic acid 87.50
C00045466 (-)-Blastmycinolactol 87.50
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