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


and

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




INPUT WORD = C00013181 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 93.51
C00046247 Orbiculin D
(+)-Orbiculin D		 93.42
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		 92.31
C00037904 Teucrolin A 92.11
C00031582 Ajugalide B 92.00
C00045042 Reissantin E 92.00
C00045713 Caesalmin F
(+)-Caesalmin F		 92.00
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		 90.91
C00023550 Teupyreinin 89.47
C00029869 Caesalmin E
(+)-Caesalpin H		 89.33
C00038678 Caesalmin D
(+)-Caesalmin D		 89.33
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 88.61
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 88.61
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		 88.61
C00040183 Salasol A 88.61
C00049870 Excavatolide D
(+)-Excavatolide D		 88.31
C00032891 Decinnamoyltaxinine E
(+)-Decinnamoyltaxinine E		 88.16
C00036221 (+)-Taxusin
Taxusin		 88.00
C00037906 Teucrolin C 88.00
C00041196 Taxuspine O 88.00
C00042309 Briaranolide G
(+)-Briaranolide G		 88.00
C00042322 Briarlide R
(+)-Briarlide R		 88.00
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 87.34
C00038716 Celahin C 87.34
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		 87.21
C00036224 Taxuspine F 87.18
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
C00040979 Glabcensin P
(-)-Glabcensin P		 87.01
C00048636 Briaexcavatin R
(+)-Briaexcavatin R		 87.01
C00012163 Acetylchapliatrin 86.84
C00035204 14,15-Dihydro-15-hydroxy-3-epicaryoptin 86.84
C00035997 14beta-Hydroxytaxusin 86.84
C00039936 Pedonin 86.84
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 86.67
C00029853 Briaexcavatin M
12-O-Debutyrylexcavatolide F
(-)-Briaexcavatin M		 86.67
C00030907 Pachyclavulide A
(-)-Pachyclavulide A		 86.67
C00031644 Caesalmin C 86.67
C00033410 Taxumairol J
(+)-Taxumairol J		 86.67
C00039504 Junceellolide E 86.67
C00042325 Caesalpin F 86.67
C00043782 Norcaesalpinin MC
(+)-Norcaesalpinin MC		 86.67
C00043963 Taxezopidine A 86.67
C00044308 Scutelaterin A
(+)-Scutelaterin A		 86.67
C00031588 Ajugapantin A 86.42
C00033713 Cedrodorin 85.71
C00041168 Taxinine L
(-)-Taxinine L		 85.71
C00045204 Adenanthin D
(+)-Adenanthin D		 85.71
C00045315 Erythrolide Q
(-)-Erythrolide Q		 85.71
C00049452 Excavatolide W
(+)-Excavatolide W		 85.71
C00037892 Taxuyunnanine Q 85.53
C00038644 Brianodin A
(-)-Brianodin A		 85.53
C00041117 Scutalpin F 85.53
C00041167 Taxinine H
(+)-Taxinine H		 85.53
C00041664 Methyl deacetylnomilinate 85.53
C00043735 Minabein 9 85.53
C00045300 Erythrolide B 85.53
C00050112 Guanepolide
(-)-Guanepolide		 85.53
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