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


and

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




INPUT WORD = C00029592 , 50% or more
[ Metabolite Name : 7-O-Nicotinoylscutebarbatine H ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00028975 Scutebarbatine A 93.26
C00029582 6-O-Nicotinoyl-7-O-acetylscutebarbatine G 91.58
C00035055 Barbatin A
(-)-Barbatin A		 91.01
C00035056 Barbatin B
(-)-Barbatin B		 89.89
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 88.76
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 86.52
C00031329 Scutebarbatine F
(-)-Scutebarbatine F		 86.52
C00031335 Scutebarbatine L
(-)-Scutebarbatine L		 86.52
C00013163 Maymyrsine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 85.56
C00001968 Celapanine 85.39
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 85.39
C00013169 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 84.44
C00013160 Rzedowskin D
[3R-[3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*]]-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid		 84.27
C00040809 2-Deacetoxytaxinine B 83.52
C00013172 Acetyleumaitenol
[3R-(3alpha,4alpha,5beta,8aalpha,6alpha,9beta,9aalpha,10R*)]-4,6-bis(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 83.15
C00016203 Pyripyropene M 83.15
C00050229 Scupontin G
(-)-Scupontin G		 83.15
C00013176 Ejap 14
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 82.02
C00031332 Scutebarbatine I
(-)-Scutebarbatine I		 82.02
C00036218 Taxezopidine H 81.32
C00016858 FO 1289B
Pyripyropene B		 81.11
C00016859 FO 1289C
Pyripyropene C		 81.11
C00031269 Salasol B 81.11
C00013168 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5-(Acetyloxy)-6-(benzoyloxy)octahydro-4,9-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 80.90
C00013182 Celapanigine
Celapagine 4-acetate
4,6-bis(Acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 80.90
C00013183 Deacetylcelapanigine
Celapagine
6-(Acetyloxy)-10-(benzoyloxy)octahydro-4-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 80.90
C00024040 Scuterivulactone C2 3-O-acetate 80.90
C00031331 Scutebarbatine H
(-)-Scutebarbatine H		 80.90
C00031334 Scutebarbatine K
(-)-Scutebarbatine K		 80.90
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 80.90
C00047687 6-O-Acetylscutehenanine A
(-)-6-O-Acetylscutehenanine A		 80.90
C00048515 Pulcherrimin C 80.90
C00013133 Cathidine D 80.43
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 80.43
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 80.43
C00016528 (+)-Pyripyropene J
Pyripyropene J		 80.43
C00016530 (+)-Pyripyropene L
Pyripyropene L		 80.43
C00046393 Scuterulein B
(-)-Scuterulein B		 80.43
C00001615 Anthranoyllycoctonine 80.00
C00013167 Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid		 80.00
C00050224 Scupontin B
(-)-Scupontin B		 80.00
C00016527 (+)-Pyripyropene I
Pyripyropene I		 79.79
C00047648 1-Deacetylkhivorin 79.79
C00013128 Maytoline 79.78
C00013139 Maytine 79.78
C00016857 (+)-Pyripyropene A
FO 1289A
Pyripyropene A		 79.78
C00036003 2-Deacetoxytaxinine J 79.78
C00036936 Corymbulosin A 79.78
C00040767 13-Acetylbrevifoliol
(+)-13-Acetylbrevifoliol		 79.78
C00046246 Orbiculin A 79.78
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