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


and

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




INPUT WORD = C00013167 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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 93.33
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		 92.22
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		 92.22
C00013133 Cathidine D 91.30
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		 91.11
C00046246 Orbiculin A 91.11
C00045038 Reissantin A 90.43
C00031269 Salasol B 90.00
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 89.13
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 89.13
C00013166 [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol 88.89
C00046248 Orbiculin E
(+)-Orbiculin E		 88.89
C00046249 Orbiculin F
(+)-Orbiculin F		 88.42
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		 87.50
C00039807 Mutangin 87.50
C00013145 Ejap 4
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 87.10
C00013136 Pringlein 86.96
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 86.96
C00001968 Celapanine 86.67
C00013147 [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 86.67
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 86.67
C00013175 Ejap 3
2[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol 4,6,10-triacetate 5-benzoate		 86.67
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		 86.67
C00041172 Taxuchin B 86.67
C00041368 Austronine 85.87
C00013139 Maytine 85.56
C00013143 Ejap 12
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,7,10-triacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 85.56
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		 85.42
C00013131 Celangulin 85.26
C00041149 Taxayuntin F 85.11
C00013142 Ejap 5
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 84.95
C00043056 Tasumatrol F
(+)-Tasumatrol F		 84.95
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		 84.69
C00013177 Ejap 10
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol		 84.44
C00035056 Barbatin B
(-)-Barbatin B		 84.44
C00049526 Taxawallin D 84.44
C00041148 Taxayuntin E 84.04
C00033277 Orthosiphol J
(-)-Orthosiphol J		 83.52
C00040447 Tasumatrol V 83.52
C00041184 Taxuspinanane B
(+)-Taxuspinanane B		 83.52
C00041519 Florxenilide B
(+)-Florxenilide B		 83.52
C00044978 Orthosiphol U
(-)-Orthosiphol U		 83.52
C00013128 Maytoline 83.33
C00013153 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate 83.33
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		 83.33
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		 83.33
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 83.33
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 83.33
C00031335 Scutebarbatine L
(-)-Scutebarbatine L		 83.33
C00031406 Tasumatrol O
(-)-Tasumatrol O		 83.33
C00038716 Celahin C 83.33
C00040183 Salasol A 83.33
C00040844 7,9,10-Trideacetylbaccatin VI 83.33
C00041518 Florxenilide A
(+)-Florxenilide A		 83.33
C00044106 Benzoylpaeoniflorin 83.33
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