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


and

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




INPUT WORD = C00046247 , 50% or more
[ Metabolite Name : Orbiculin D , (+)-Orbiculin D ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 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		 93.42
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
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		 90.91
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
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		 88.37
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		 88.31
C00037904 Teucrolin A 88.16
C00021416 Lapidolinin 87.34
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 86.84
C00041664 Methyl deacetylnomilinate 86.84
C00045042 Reissantin E 86.84
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 86.08
C00040183 Salasol A 86.08
C00001968 Celapanine 86.05
C00021415 Lapidolidin 85.53
C00030714 Malycorin B 85.53
C00046949 Taxuyunnanine N
(-)-Taxuyunnanine N		 85.53
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
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 84.81
C00038716 Celahin C 84.81
C00041233 11alpha-Hydroxygedunin
(+)-11alpha-Hydroxygedunin		 84.42
C00041234 11beta-Hydroxygedunin
(+)-11beta-Hydroxygedunin		 84.42
C00048845 Robustolide K 84.42
C00049417 6-Deoxy-9alpha-hydroxycedrodorin 84.42
C00049452 Excavatolide W
(+)-Excavatolide W		 84.42
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 84.21
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		 84.21
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		 84.21
C00031582 Ajugalide B 84.21
C00033395 Sudachinoid C 84.21
C00041196 Taxuspine O 84.21
C00042435 Cycloseverinolide
(+)-Cycloseverinolide
 84.21
C00045545 2-Hydroxyseneganolide 84.21
C00045713 Caesalmin F
(+)-Caesalmin F		 84.21
C00049378 Excavatolide L
(+)-Excavatolide L		 84.21
C00050096 Eunicellin
(-)-Eunicellin		 84.21
C00050112 Guanepolide
(-)-Guanepolide		 84.21
C00041703 Nomilinic acid 83.75
C00046248 Orbiculin E
(+)-Orbiculin E		 83.72
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 83.54
C00016205 Pyripyropene O 83.33
C00030914 Pachyclavulide I
(-)-Pachyclavulide I		 83.33
C00031935 Junceellolide C
(+)-Junceellolide C		 83.12
C00031940 Juncin A
(-)-Juncin A		 83.12
C00033713 Cedrodorin 83.12
C00034055 Methyl uguenenoate 83.12
C00035332 Khayalactone
(+)-Khayalactone		 83.12
C00041168 Taxinine L
(-)-Taxinine L		 83.12
C00047659 3,7-Dideacetylkhivorin 83.12
C00049870 Excavatolide D
(+)-Excavatolide D		 83.12
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