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


and

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




INPUT WORD = C00038753 , 50% or more
[ Metabolite Name : Chlorocyclinone B ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00038754 Chlorocyclinone C 89.61
C00013174 Vaalens 5
[3R-[3alpha,5beta(E),5aalpha,6alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)octahydro-9-hydroxy-6-[(hydroxyacetyl)oxy]-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid		 83.12
C00043934 Styraxlignolide E
(-)-Styraxlignolide E		 83.12
C00013171 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 4,5,10-triacetate 6-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 82.28
C00038716 Celahin C 82.28
C00013170 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 81.33
C00013181 Eumaitenin
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-furancarboxylic acid		 81.33
C00034963 Tropolactone B 81.33
C00042419 Cucurbitoside G
(-)-Cucurbitoside G		 81.33
C00045535 2',3'-di-O-Acetylfrangulin A
(-)-2',3'-di-O-Acetylfrangulin A		 81.33
C00003719 Limonin
Limonine		 80.00
C00013161 Rzedowskin A
5,7-bis(Acetyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyloxiranecarboxylic acid		 80.00
C00033410 Taxumairol J
(+)-Taxumairol J		 80.00
C00038752 Chlorocyclinone A 80.00
C00042418 Cucurbitoside F
(-)-Cucurbitoside F		 80.00
C00048766 Marinoid A
(-)-Marinoid A		 80.00
C00013165 [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol 79.75
C00013173 [3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol 5,10-diacetate 6-benzoate 79.75
C00013179 Eumaitenol
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-6-(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 79.49
C00042422 Cucurbitoside J
(-)-Cucurbitoside J		 79.49
C00044068 6-Feruloylcatalpol 79.49
C00045315 Erythrolide Q
(-)-Erythrolide Q		 79.22
C00048768 Marinoid C
(-)-Marinoid C		 79.22
C00010524 Kutkoside 78.95
C00012673 (2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A
PD 113,325		 78.95
C00027567 Neoalangiside 78.95
C00048546 Stypodiol diacetate 78.95
C00049220 Malayenolide B
(+)-Malayenolide B		 78.95
C00002796 Aurantio-obtusin beta-D-glucoside 78.67
C00008690 2''-Acetylcallunin 78.67
C00010483 Arborside C 78.67
C00013151 [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate 78.67
C00022035 Dihydrochlorodesmin 78.67
C00029374 10-o-Vanilloyl aucubin
10-O-vanillate
(-)-Pedunculariside		 78.67
C00035887 Turraflorin B 78.67
C00040500 Toonaciliatin D
(+)-Toonaciliatin D		 78.67
C00040926 Coniferinoside 78.67
C00042989 Scutegalin D 78.67
C00043781 Norcaesalpinin MB
(-)-Norcaesalpinin MB		 78.67
C00015954 F 13459 78.48
C00035510 6-O-(3,4,5-trimethoxybenzoyl)-ajugol 78.48
C00010487 Arbortristoside E 78.31
C00031043 Piscroside A
(-)-Piscroside A		 78.21
C00031044 Piscroside B
(-)-Piscroside B		 78.21
C00044973 Orthosiphol C
(-)-Orthosiphol C		 78.21
C00005935 6-Methoxykaempferol 3-(6''-acetylglucoside) 77.92
C00012608 6',7'-Didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydrosatratoxin H
Myrotoxin A		 77.92
C00013253 Barbatoflavan
(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside		 77.92
C00024143 Syringin-4-O-beta-glucoside 77.63
C00025574 Nordeoxyharringtonine
(-)-Nordeoxyharringtonine		 77.63
C00027574 CID is old! 77.63
C00035147 Picroroside A
(-)-Picroroside A		 77.63
C00035891 Turraflorin G
(+)-Turraflorin G		 77.63
C00040446 Tasumatrol U 77.63
C00042150 5alpha,6beta,8alpha,12alpha-Tetrahydroxy-28-norisotoonafolin
(+)-5alpha,6beta,8alpha,12alpha-Tetrahydroxy-28-norisotoonafolin		 77.63
C00043732 Minabein 4 77.63
C00046949 Taxuyunnanine N
(-)-Taxuyunnanine N		 77.63
C00049430 Bipinnatin A 77.63
C00050340 Casearinol A
(+)-Casearinol A		 77.63
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