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


and

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




INPUT WORD = C00042739 , 50% or more
[ Metabolite Name : Methyl-4-O-caffeoylquinate , (+)-Methyl-4-O-caffeoylquinate ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00029558 5-Caffeoylquinic acid methyl ester
5-O-Caffeoylquinic acid methyl ester		 98.11
C00029948 Chlorogenic acid methyl ester
Methyl 5-O-caffeoylquinate
Methyl chlorogenate		 98.11
C00035932 3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester		 98.11
C00029540 4-Caffeoylquinic acid
Cryptochlorogenic acid
4-O-Caffeoylquinic acid		 96.23
C00042735 methyl 4-O-coumaroylquinate 96.23
C00042501 Ethyl 4-O-caffeoylquinate 94.55
C00044753 Ethyl chlorogenate 94.55
C00002724 3-O-Caffeoylquinic acid
Chlorogenic acid
Chlorogenate
Heriguard
Caffeoylquinic acid		 94.34
C00030807 5-Caffeoylquinic acid
Neochlorogenic acid
5-O-Caffeoylquinic acid
Caffeoylquinic acid		 94.34
C00035939 3-O-Feruloylquinic acid
Feruloylquinic acid
3-Ferulylquinic acid		 94.34
C00049091 5-Caffeoyl quinic acid
(+)-5-Caffeoyl quinic acid		 94.34
C00030769 Methyl-3-O-feruloylquinate 92.73
C00002730 4-p-Coumaroylquinic acid 92.45
C00032657 4-O-p-Coumaroylquinic acid
p-Coumaroylquinic acid		 92.45
C00029511 3-O-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroyl quinic acid		 90.57
C00039428 Isochlorogenic acid 90.57
C00002717 1-Caffeoyl-4-deoxyquinic acid 88.68
C00029541 4-O-Cinnamoylquinic acid 88.68
C00032613 1-O-Feruloyl-beta-D-glucopyranose 88.68
C00035951 4-O-Cinnamoyl quinic acid 88.68
C00044603 Butyl chlorogenate 88.14
C00032918 Dracunculifoside E
(-)-Dracunculifoside E		 87.72
C00013592 1-O-Sinapoyl-beta-D-glucose 87.27
C00031878 Icariside H1
(-)-Icariside H1
Juniperoside
(-)-Juniperoside		 87.27
C00037552 Ningposide A 87.27
C00037553 Ningposide B 87.27
C00002718 1-Caffeoyl-beta-D-glucose 86.79
C00015105 Chrysolandol 86.79
C00036845 Buergeriside B2 86.79
C00037495 Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside 86.79
C00037554 Ningposide C
(+)-Ningposide C		 86.79
C00041024 Junipetrioloside A 86.79
C00043107 Vittarilide A
(+)-Vittarilide A		 86.79
C00049979 Amphorogynine A
(+)-Amphorogynine A		 85.19
C00049980 Amphorogynine B
(-)-Amphorogynine B		 85.19
C00049981 Amphorogynine C
(-)-Amphorogynine C		 85.19
C00000288 Potassium lespedezate 84.91
C00010705 Syringopicrogenin B 84.91
C00033225 Mucic acid 6-methyl ester 2-O-gallate 84.91
C00036844 Buergeriside B1 84.91
C00037931 trans-p-Feruloyl beta-D-glucopyranoside
(-)-trans-p-Feruloyl beta-D-glucopyranoside		 84.91
C00049944 3-Deacetylcrotepoxide
(+)-3-Deacetylcrotepoxide		 84.91
C00000289 Potassium isolespedezate 83.33
C00001538 DIMBOA glucoside 83.33
C00010702 Syringenone 83.33
C00033226 Mucic acid dimethyl ester 2-O-gallate 83.33
C00017253 AB 3217A
AB3217-A
Antibiotic AB3217A		 83.02
C00019367 2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside 83.02
C00036846 Buergeriside C1 83.02
C00041020 Junipediol A 8-glucoside 83.02
C00041021 Junipediol B 8-glucoside 83.02
C00041182 Taxuside 83.02
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