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


and

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




INPUT WORD = C00013185 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 96.10
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		 93.67
C00040183 Salasol A 93.67
C00013181 Eumaitenin
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-furancarboxylic acid		 93.51
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 92.41
C00038716 Celahin C 92.41
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 91.14
C00046247 Orbiculin D
(+)-Orbiculin D		 90.91
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		 90.59
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 89.87
C00013179 Eumaitenol
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-6-(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 89.74
C00001968 Celapanine 88.37
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 88.31
C00037904 Teucrolin A 88.31
C00045042 Reissantin E 88.31
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 87.65
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 87.65
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		 87.50
C00041157 Taxchinin G 87.50
C00049538 Teixidol
(-)-Teixidol		 87.18
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		 87.06
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		 87.01
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 87.01
C00023550 Teupyreinin 87.01
C00031197 Rostratamine 87.01
C00031582 Ajugalide B 87.01
C00035997 14beta-Hydroxytaxusin 87.01
C00036108 2-Deacetyl-5-decinnamoyltaxinine J
(+)-2-Deacetyl-5-decinnamoyltaxinine J
2-Deacetoxydecinnamoyltaxinine J
(+)-2-Deacetoxydecinnamoyltaxinine J		 87.01
C00039502 Junceellolide A
(-)-Junceellolide A		 87.01
C00013128 Maytoline 86.52
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		 86.36
C00013139 Maytine 86.21
C00032891 Decinnamoyltaxinine E
(+)-Decinnamoyltaxinine E		 85.71
C00037893 Taxuyunnanine R 85.71
C00041168 Taxinine L
(-)-Taxinine L		 85.71
C00045204 Adenanthin D
(+)-Adenanthin D		 85.71
C00045713 Caesalmin F
(+)-Caesalmin F		 85.71
C00049284 Rabyuennane A
(+)-Rabyuennane A		 85.71
C00050096 Eunicellin
(-)-Eunicellin		 85.71
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		 85.37
C00024038 Scuterivulactone C1 85.00
C00024039 Scuterivulactone C2 85.00
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		 84.88
C00046248 Orbiculin E
(+)-Orbiculin E		 84.88
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 84.71
C00030914 Pachyclavulide I
(-)-Pachyclavulide I		 84.62
C00035203 14,15-Dihydro-15beta-methoxy-3-epicaryoptin 84.62
C00036224 Taxuspine F 84.62
C00003411 Caryoptin 84.42
C00012163 Acetylchapliatrin 84.42
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 84.42
C00031935 Junceellolide C
(+)-Junceellolide C		 84.42
C00031940 Juncin A
(-)-Juncin A		 84.42
C00031941 Juncin B
(-)-Juncin B		 84.42
C00035204 14,15-Dihydro-15-hydroxy-3-epicaryoptin 84.42
C00036221 (+)-Taxusin
Taxusin		 84.42
C00037892 Taxuyunnanine Q 84.42
C00037906 Teucrolin C 84.42
C00040618 Valtrate hydrine B3 84.42
C00040854 9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol
(+)-9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol		 84.42
C00041196 Taxuspine O 84.42
C00042312 Briaranolide J
(+)-Briaranolide J		 84.42
C00043963 Taxezopidine A 84.42
C00045315 Erythrolide Q
(-)-Erythrolide Q		 84.42
C00048636 Briaexcavatin R
(+)-Briaexcavatin R		 84.42
C00049378 Excavatolide L
(+)-Excavatolide L		 84.42
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