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


and

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





INPUT WORD = C00029540 , 50% or more
[ Metabolite Name : 4-Caffeoylquinic acid , Cryptochlorogenic acid , 4-O-Caffeoylquinic acid ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00002724 3-O-Caffeoylquinic acid
Chlorogenic acid
Chlorogenate
Heriguard
Caffeoylquinic acid
98.04
C00030807 5-Caffeoylquinic acid
Neochlorogenic acid
5-O-Caffeoylquinic acid
Caffeoylquinic acid
98.04
C00049091 5-Caffeoyl quinic acid
(+)-5-Caffeoyl quinic acid
98.04
C00042739 Methyl-4-O-caffeoylquinate
(+)-Methyl-4-O-caffeoylquinate
96.23
C00002730 4-p-Coumaroylquinic acid 96.08
C00032657 4-O-p-Coumaroylquinic acid
p-Coumaroylquinic acid
96.08
C00042735 methyl 4-O-coumaroylquinate 96.08
C00029558 5-Caffeoylquinic acid methyl ester
5-O-Caffeoylquinic acid methyl ester
94.34
C00029948 Chlorogenic acid methyl ester
Methyl 5-O-caffeoylquinate
Methyl chlorogenate
94.34
C00035932 3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester
94.34
C00035939 3-O-Feruloylquinic acid
Feruloylquinic acid
3-Ferulylquinic acid
94.34
C00029511 3-O-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroyl quinic acid
94.12
C00039428 Isochlorogenic acid 94.12
C00002717 1-Caffeoyl-4-deoxyquinic acid 92.16
C00029541 4-O-Cinnamoylquinic acid 92.16
C00032613 1-O-Feruloyl-beta-D-glucopyranose 92.16
C00035951 4-O-Cinnamoyl quinic acid 92.16
C00042501 Ethyl 4-O-caffeoylquinate 90.91
C00044753 Ethyl chlorogenate 90.91
C00002718 1-Caffeoyl-beta-D-glucose 90.20
C00043107 Vittarilide A
(+)-Vittarilide A
90.20
C00030769 Methyl-3-O-feruloylquinate 89.09
C00037553 Ningposide B 89.09
C00041024 Junipetrioloside A 88.46
C00037495 Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside 88.24
C00037554 Ningposide C
(+)-Ningposide C
88.24
C00037931 trans-p-Feruloyl beta-D-glucopyranoside
(-)-trans-p-Feruloyl beta-D-glucopyranoside
88.24
C00039279 Glucoacetosyringone 88.24
C00041020 Junipediol A 8-glucoside 88.24
C00041182 Taxuside 88.24
C00013592 1-O-Sinapoyl-beta-D-glucose 87.27
C00037552 Ningposide A 87.27
C00031926 Juglanoside B
(-)-Juglanoside B
86.27
C00031927 Juglanoside C
(-)-Juglanoside C
86.27
C00032376 trans-p-Coumaroyl beta-D-glucopyranoside
(-)-trans-p-Coumaroyl beta-D-glucopyranoside
86.27
C00036336 (1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside
(+)-(1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside
86.27
C00036846 Buergeriside C1 86.27
C00049944 3-Deacetylcrotepoxide
(+)-3-Deacetylcrotepoxide
86.27
C00036845 Buergeriside B2 84.91
C00044603 Butyl chlorogenate 84.75
C00015105 Chrysolandol 84.62
C00031928 Juglanoside D
(-)-Juglanoside D
84.62
C00000122 1-DL-(Indole-3-acetyl)-myo-inositol
2-Q-(Indole-3-acetyl)-myo-inositol
84.31
C00002676 3-O-Galloylquinic acid
Theogallin
84.31
C00002720 5-O-Caffeoylshikimic acid 84.31
C00003014 Betuloside
Rhododendrin
(-)-Rhododendrin
84.31
C00015129 Pyloricidin D 84.31
C00031767 epi-Juruenolide C
(-)-epi-Juruenolide C
84.31
C00031946 Juruenolide C
(+)-Juruenolide C
84.31
C00032488 Vimalin 84.31
C00036327 (1'R,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-D-glucopyranoside 84.31
C00044063 4-Hydroxy-5-methylcoumarin 4-O-beta-D-glucopyranoside
Gerberinside
84.31
C00047326 Oligandrumin E
(-)-Oligandrumin E
84.31
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