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


and

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




INPUT WORD = C00013179 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00046247 Orbiculin D
(+)-Orbiculin D		 97.44
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		 92.31
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		 90.70
C00021416 Lapidolinin 89.87
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		 89.74
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		 89.74
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 87.34
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
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		 87.34
C00001968 Celapanine 87.21
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		 87.18
C00045042 Reissantin E 87.18
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		 86.59
C00038716 Celahin C 86.08
C00040183 Salasol A 86.08
C00021415 Lapidolidin 85.90
C00033413 Taxumairol Y
(+)-Taxumairol Y		 85.90
C00037904 Teucrolin A 85.90
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		 85.00
C00046248 Orbiculin E
(+)-Orbiculin E		 84.88
C00012163 Acetylchapliatrin 84.62
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 84.62
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 84.62
C00023550 Teupyreinin 84.62
C00030914 Pachyclavulide I
(-)-Pachyclavulide I		 84.62
C00031935 Junceellolide C
(+)-Junceellolide C		 84.62
C00031940 Juncin A
(-)-Juncin A		 84.62
C00041167 Taxinine H
(+)-Taxinine H		 84.62
C00041168 Taxinine L
(-)-Taxinine L		 84.62
C00045315 Erythrolide Q
(-)-Erythrolide Q		 84.62
C00046786 Junceellolide F
(-)-Junceellolide F		 84.62
C00048635 Briaexcavatin Q 84.62
C00048845 Robustolide K 84.62
C00049452 Excavatolide W
(+)-Excavatolide W		 84.62
C00049538 Teixidol
(-)-Teixidol		 84.62
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 84.52
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 83.95
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 83.95
C00031588 Ajugapantin A 83.95
C00038646 Brianodin C
(+)-Brianodin C		 83.75
C00041157 Taxchinin G 83.75
C00003722 Nomilin 83.54
C00031405 Tasumatrol N
(+)-Tasumatrol N		 83.54
C00033521 11beta-Acetoxyobacunol 83.54
C00048637 Briaexcavatin S
(+)-Briaexcavatin S		 83.54
C00013178 (+)-Triptofoldin B
TWHR 2
Triptofoldin B
Triptofordin B
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,6-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol		 83.33
C00013180 Mortonol A
[3S-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-5,6-bis(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one		 83.33
C00029869 Caesalmin E
(+)-Caesalpin H		 83.33
C00031581 Ajugalide A 83.33
C00033410 Taxumairol J
(+)-Taxumairol J		 83.33
C00036224 Taxuspine F 83.33
C00038678 Caesalmin D
(+)-Caesalmin D		 83.33
C00039504 Junceellolide E 83.33
C00039558 Kihadalactone A 83.33
C00045713 Caesalmin F
(+)-Caesalmin F		 83.33
C00045993 Haperforin F 83.33
C00046949 Taxuyunnanine N
(-)-Taxuyunnanine N		 83.33
C00048844 Robustolide J
(-)-Robustolide J		 83.33
C00049417 6-Deoxy-9alpha-hydroxycedrodorin 83.33
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