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


and

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




INPUT WORD = C00013153 , 50% or more
[ Metabolite Name : [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 ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 96.55
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 95.40
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		 95.40
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 93.10
C00013128 Maytoline 92.13
C00013139 Maytine 91.95
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 91.95
C00013155 [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 91.95
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		 91.95
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 91.11
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 90.80
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 90.80
C00046248 Orbiculin E
(+)-Orbiculin E		 90.80
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		 90.32
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 90.22
C00036790 Baccatin III
(-)-Baccatin III		 89.77
C00040892 Baccatin V 89.77
C00049530 Taxayuntin B 89.77
C00013131 Celangulin 89.47
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		 89.25
C00049343 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol		 88.76
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		 88.64
C00043969 Taxuspinanane F
(-)-Taxuspinanane F		 88.64
C00049536 Taxuspinanane D 88.64
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 88.51
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 88.51
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		 88.51
C00038716 Celahin C 88.51
C00040183 Salasol A 88.51
C00042050 13-Deacetoxybaccatin I 88.51
C00013136 Pringlein 88.04
C00031269 Salasol B 87.78
C00032599 13-O-Deacetyltaxumairol Z
(-)-13-O-Deacetyltaxumairol Z		 87.78
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		 87.50
C00040844 7,9,10-Trideacetylbaccatin VI 87.50
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		 87.36
C00024040 Scuterivulactone C2 3-O-acetate 87.36
C00049534 Taxezopidine F
(-)-Taxezopidine F		 87.36
C00045038 Reissantin A 87.23
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 86.96
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 86.96
C00041152 Taxchinin A 86.81
C00041519 Florxenilide B
(+)-Florxenilide B		 86.81
C00040767 13-Acetylbrevifoliol
(+)-13-Acetylbrevifoliol		 86.52
C00041172 Taxuchin B 86.52
C00049526 Taxawallin D 86.52
C00033982 Ixerisoside G 86.36
C00046246 Orbiculin A 86.36
C00001968 Celapanine 86.21
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 86.21
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		 86.21
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		 86.21
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		 86.21
C00030236 Euphoscopin B 86.21
C00035070 Cheiradone A
(-)-Cheiradone A		 86.21
C00035071 Cheiradone B
(-)-Cheiradone B		 86.21
C00036003 2-Deacetoxytaxinine J 86.21
C00037889 Taxinine NN-7
(+)-Taxinine NN-7		 86.21
C00041205 Taxuspine Y
(-)-Taxuspine Y		 86.21
C00043211 5-Decinnamoyltaxuspine D
(+)-5-Decinnamoyltaxuspine D		 86.21
C00046946 Taxuyunnanine K
(-)-Taxuyunnanine K		 86.21
C00049453 Excavatolide X
(-)-Excavatolide X		 86.21
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