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


and

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




INPUT WORD = C00013155 , 50% or more
[ Metabolite Name : [3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013152 [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 5,10-diacetate 6-benzoate 100.00
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 96.30
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 95.06
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		 95.06
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		 93.83
C00040183 Salasol A 93.83
C00038716 Celahin C 92.59
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 91.95
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		 91.76
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 91.36
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 91.36
C00013184 Ejap 2
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,10-triol 6,10-diacetate 5-benzoate		 91.36
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		 90.12
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		 89.66
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 89.29
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 88.89
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 88.24
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		 88.24
C00040450 Tasumatrol Y 87.95
C00013185 Ejap 7
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 87.65
C00046212 Norstaminone A 87.65
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 87.36
C00046946 Taxuyunnanine K
(-)-Taxuyunnanine K		 86.75
C00045070 Secoorthosiphol B 86.59
C00013188 [3R-[3alpha,5beta,5aalpha,6alpha(E),7alpha,9alpha,9aalpha]]-5,7-bis(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid 86.42
C00024038 Scuterivulactone C1 86.42
C00024039 Scuterivulactone C2 86.42
C00049373 Excavatolide G
(+)-Excavatolide G		 86.42
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
C00035995 10-Deacetylbaccatin III 85.37
C00041185 Taxuspinanane C
(+)-Taxuspinanane C		 85.37
C00042031 10-Deacetyl-10-oxobaccatin III 85.37
C00042032 10-Deacetyl-13-oxobaccatin III
(-)-10-Deacetyl-13-oxobaccatin III		 85.37
C00021416 Lapidolinin 85.19
C00024037 Scuterivulactone B 85.19
C00030235 Euphoscopin A 85.19
C00035938 3-O-Deacetylorthosiphol I
(-)-3-O-Deacetylorthosiphol I		 85.19
C00042307 Briaranolide E
(-)-Briaranolide E		 85.19
C00045042 Reissantin E 85.19
C00024040 Scuterivulactone C2 3-O-acetate 84.88
C00046248 Orbiculin E
(+)-Orbiculin E		 84.88
C00033275 Orthosiphol G
(-)-Orthosiphol G		 84.71
C00033276 Orthosiphol I
(-)-Orthosiphol I		 84.71
C00044980 Orthosiphol W
(-)-Orthosiphol W		 84.71
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		 84.52
C00033980 Ixerisoside A 84.52
C00042057 19-Hydroxy-10-deacetylbaccatin III 84.52
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
C00040903 Brevifoliol 84.34
C00046151 Milolide A
(+)-Milolide A		 84.34
C00046947 Taxuyunnanine L
(-)-Taxuyunnanine L		 84.34
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