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


and

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




INPUT WORD = C00013138 , 50% or more
[ Metabolite Name : Euolalin , [3R-[3alpha,5beta(S*),5aalpha,6alpha,7alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-6,7-bis(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 2-methylbutanoic acid ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013144 Celahin D
Elat 5
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 6,7,10-triacetate 4,5-dibenzoate		 92.31
C00013148 Triptofordin D 2
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 91.35
C00039218 Fokienagarofuran A 90.65
C00032066 Neoorthosiphol A
(-)-Neoorthosiphol A		 90.38
C00032067 Neoorthosiphol B
(+)-Neoorthosiphol B		 90.38
C00013137 Acetylpringleine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5,7-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,9,10-pentol		 89.42
C00032160 Siphonol C
(-)-Siphonol C		 89.42
C00039807 Mutangin 88.46
C00033272 Orthosiphol A 87.50
C00033279 Orthosiphonone B 87.50
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 86.92
C00013129 Maytolidine 86.79
C00013156 Triptofordin D 1
[3R-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-oxo-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 86.54
C00033273 Orthosiphol B 86.54
C00033274 Orthosiphol F
(-)-Orthosiphol F		 86.54
C00044347 Taxuspinanane J 86.24
C00038166 15-Acetoxyorbiculin G 85.98
C00013136 Pringlein 85.58
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 85.58
C00033278 Orthosiphonone A
(-)-Orthosiphonone A		 85.58
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 85.58
C00044975 Orthosiphol O
(-)-Orthosiphol O		 85.58
C00044976 Orthosiphol R
(-)-Orthosiphol R		 85.58
C00049531 Taxchinin M
(-)-Taxchinin M		 85.58
C00032161 Siphonol D
(-)-Siphonol D		 85.45
C00038331 8-Benzoyloxymutangin 85.22
C00013149 Triptofordinine A 1
[3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(E),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid		 84.96
C00013150 Triptofordinine A 2
[3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(Z),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid		 84.96
C00013121 O2-Deacetylevonine 84.91
C00043086 Trifoliolasine E
(-)-Trifoliolasine E		 84.91
C00013164 Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 84.62
C00032159 Siphonol B
(-)-Siphonol B		 84.62
C00038159 Taxayunnansin A
Taxayuntin
13-Decinnamoyl-taxchinin B		 84.62
C00041119 Scutalpin L 84.62
C00045038 Reissantin A 84.62
C00032158 Siphonol A
(-)-Siphonol A		 84.55
C00032197 Staminol A
(-)-Staminol A		 84.55
C00013141 Alatolin
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,10-diacetate 4,6,7-tribenzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 84.35
C00003448 Kansuinine B 84.26
C00032098 Orthosiphol H
(-)-Orthosiphol H		 84.26
C00046056 Kansuinin C
(+)-Kansuinin C		 84.26
C00027888 Aquifoliunine E-II 83.96
C00041159 Taxchinin I
(-)-Taxchinin I		 83.78
C00013132 8alpha-Benzoyloxyacetylpringleine
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,9,10-hexol 6,10-diacetate 4,5,7-tribenzoate		 83.76
C00013130 Ejap 6 83.65
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 83.65
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 83.65
C00031269 Salasol B 83.65
C00041146 Taxamedin A 83.65
C00041147 Taxayuntin A 83.65
C00041158 Taxchinin H 83.65
C00043087 Trifoliolasine F
(-)-Trifoliolasine F		 83.65
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