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


and

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




INPUT WORD = C00035056 , 50% or more
[ Metabolite Name : Barbatin B , (-)-Barbatin B ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035055 Barbatin A
(-)-Barbatin A		 96.63
C00050229 Scupontin G
(-)-Scupontin G		 91.01
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 90.22
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 90.22
C00031269 Salasol B 90.00
C00029592 7-O-Nicotinoylscutebarbatine H 89.89
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 88.76
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 88.76
C00046246 Orbiculin A 88.76
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 87.64
C00048515 Pulcherrimin C 87.64
C00013136 Pringlein 86.96
C00046393 Scuterulein B
(-)-Scuterulein B		 86.96
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		 86.67
C00003440 Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate		 86.52
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		 86.52
C00013154 [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate 85.87
C00048037 Paeonidanin A
(-)-Paeonidanin A		 85.71
C00044106 Benzoylpaeoniflorin 85.56
C00013162 Mortonol B
[3S-(3alpha,5beta,5aalpha,6alpha,7beta,9beta,9aalpha)]-7-(Acetyloxy)-5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one		 85.39
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		 85.39
C00024040 Scuterivulactone C2 3-O-acetate 85.39
C00010484 Arborside A 84.78
C00014738 Bicaryanone D
(2R,4bR,7aS,7bR,8R,11R,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 84.78
C00014741 Chalcocaryanone C 84.62
C00014742 Chalcocaryanone D 84.62
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		 84.44
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
C00024817 15-Deacetylvakognavine 84.44
C00032107 Paeonin A
(+)-Paeonin A		 84.44
C00032099 Orthosiphol K
(-)-Orthosiphol K		 84.38
C00044977 Orthosiphol T
(-)-Orthosiphol T		 84.38
C00044981 Orthosiphol X
(-)-Orthosiphol X		 84.38
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 84.27
C00024037 Scuterivulactone B 84.27
C00024038 Scuterivulactone C1 84.27
C00024039 Scuterivulactone C2 84.27
C00028975 Scutebarbatine A 84.27
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 84.27
C00044275 Paeonidaninol A 84.27
C00044276 Paeonidaninol B 84.27
C00029582 6-O-Nicotinoyl-7-O-acetylscutebarbatine G 84.21
C00048039 Paeonidanin C
(-)-Paeonidanin C		 83.87
C00032759 Benzoyloxypaeoniflorin
Oxypaeoniflorin 6'-benzoate		 83.70
C00041119 Scutalpin L 83.51
C00039807 Mutangin 83.33
C00039258 Genkwadaphnin
(+)-Genkwadaphnin		 83.16
C00049343 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol		 83.15
C00049526 Taxawallin D 83.15
C00010611 Senburiside II 82.61
C00013133 Cathidine D 82.61
C00014735 Bicaryanone A
(2S,4bR,7aS,7bR,8R,11S,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 82.61
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