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


and

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





INPUT WORD = C00002676 , 50% or more
[ Metabolite Name : 3-O-Galloylquinic acid , Theogallin ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00002652 Glucogallin
beta-Glucogallin
91.84
C00038195 1-O-Galloyl-beta-D-glucose
(-)-1-O-Galloyl-beta-D-glucose
91.84
C00002724 3-O-Caffeoylquinic acid
Chlorogenic acid
Chlorogenate
Heriguard
Caffeoylquinic acid
90.20
C00037875 Syringic acid beta-glucopyranosyl ester 90.20
C00002981 Bergenin 89.80
C00043107 Vittarilide A
(+)-Vittarilide A
87.76
C00033224 Mucic acid 1-methyl ester 2-O-gallate 86.54
C00030807 5-Caffeoylquinic acid
Neochlorogenic acid
5-O-Caffeoylquinic acid
Caffeoylquinic acid
86.27
C00039428 Isochlorogenic acid 86.27
C00049091 5-Caffeoyl quinic acid
(+)-5-Caffeoyl quinic acid
86.27
C00001579 Pancratistatin
(+)-Pancratistatin
85.71
C00034384 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
3,4,5-Trimethoxyphenol 1-O-beta-D-glucopyranoside
85.71
C00041182 Taxuside 85.71
C00033226 Mucic acid dimethyl ester 2-O-gallate 85.19
C00033225 Mucic acid 6-methyl ester 2-O-gallate 84.62
C00041024 Junipetrioloside A 84.62
C00029540 4-Caffeoylquinic acid
Cryptochlorogenic acid
4-O-Caffeoylquinic acid
84.31
C00007575 6-hydroxyindole-3-carboxylic acid beta-D-glucopyranosyl ester 84.00
C00048042 Paeoniflorone
(-)-Paeoniflorone
84.00
C00007349 Sinapoyl-(S)-malate 83.67
C00029511 3-O-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroyl quinic acid
83.67
C00030898 Osmanthuside F 83.67
C00033253 Norbergenin 83.67
C00033556 3,4-Dihydroxyphenethyl glucoside
(-)-3,4-Dihydroxyphenethyl glucoside
83.67
C00033723 Cimidahurine 83.67
C00033999 Koaburaside 83.67
C00039851 Nigrospoxydon C
(+)-Nigrospoxydon C
83.67
C00044753 Ethyl chlorogenate 83.64
C00029558 5-Caffeoylquinic acid methyl ester
5-O-Caffeoylquinic acid methyl ester
83.02
C00029948 Chlorogenic acid methyl ester
Methyl 5-O-caffeoylquinate
Methyl chlorogenate
83.02
C00035932 3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester
83.02
C00035939 3-O-Feruloylquinic acid
Feruloylquinic acid
3-Ferulylquinic acid
83.02
C00013592 1-O-Sinapoyl-beta-D-glucose 81.82
C00001442 Dhurrin 81.63
C00001460 Zierin 81.63
C00002706 Paeonoside 81.63
C00002717 1-Caffeoyl-4-deoxyquinic acid 81.63
C00002718 1-Caffeoyl-beta-D-glucose 81.63
C00002730 4-p-Coumaroylquinic acid 81.63
C00007576 Indole-3-carboxylic acid beta-D-glucopyranosyl ester 81.63
C00010957 (+)-Paeonilactone C
Paeonilactone C
81.63
C00017814 (+)-Validoxylamine G
Validoxylamine G
81.63
C00023960 12-Oxocurvularin 81.63
C00024024 CID is old! 81.63
C00024139 Bungeiside A 81.63
C00024140 Bungeiside B 81.63
C00029541 4-O-Cinnamoylquinic acid 81.63
C00030192 Epirhododendrin
(+)-Betuloside
81.63
C00030421 Goniothalesacetate 81.63
C00032657 4-O-p-Coumaroylquinic acid
p-Coumaroylquinic acid
81.63
C00032892 Demethoxybergenin
(-)-Demethoxybergenin
81.63
C00035951 4-O-Cinnamoyl quinic acid 81.63
C00036007 3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside 81.63
C00037273 Holocalin 81.63
C00037917 Thymoquinol 5-O-beta-glucopyranoside
(-)-Thymoquinol 5-O-beta-glucopyranoside
81.63
C00041914 Taxiphyllin 81.63
C00048582 1-Deoxytetrahydrobostrycin 81.63
C00049944 3-Deacetylcrotepoxide
(+)-3-Deacetylcrotepoxide
81.63
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