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


and

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




INPUT WORD = C00021746 , 50% or more
[ Metabolite Name : 8beta-Hydroxyproustianol angelicate ]
Number of matched data : 93

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021748 Proustianol angelicate 95.52
C00023212 [2S-[2alpha(Z),4aalpha,6alpha,8beta(S*),8abeta]]-8a-[(Acetyloxy)methyl]decahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4-dimethyl-7-methylene-2-naphthalenyl ester 2-methyl-2-butenoic acid 88.06
C00012161 Chapliatrin 87.14
C00012953 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 86.57
C00020435 Graminichlorin 86.57
C00020875 Acetylisomontanolide 86.57
C00033865 Gelomulide Q 86.57
C00037909 Teucrolin F
(+)-Teucrolin F		 86.57
C00045209 Adenanthin I
(-)-Adenanthin I		 86.57
C00049205 Leucophyllin B
(-)-Leucophyllin B		 86.57
C00049206 Leucophyllin C
(+)-Leucophyllin C		 86.57
C00021266 Plagiochilin D 85.51
C00020534 Pericomin 85.29
C00020535 Isopericomin 85.29
C00033934 Hydruntinolide C
(-)-Hydruntinolide C		 85.29
C00003253 Eleganin 85.07
C00003295 Graminiliatrin 85.07
C00011787 [3aR-[3aR*,4R*[E(E)],6E,9R*,10Z,11aR*]]-2-[[(2,3,3a,4,5,8,9,11a-Octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl)oxy]carbonyl]-2-butenyl ester 2-(hydroxymethyl)-2-butenoic acid 85.07
C00012064 [1R-[1R*,4R*,6S*(Z),9R*,10R*(Z),11R*]]-[9-(1-Hydroxy-1-methylethyl)-1-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-5,12-dioxatricyclo[9.1.0.04,6]dodec-6-yl]methyl ester 2-methyl-2-butenoic acid 85.07
C00012066 Ligularinone A 85.07
C00012122 Piptocarphin B 85.07
C00012125 Piptocarphin E 85.07
C00012236 Melcanthin B 85.07
C00012287 Melcanthin A 85.07
C00020456 Jamaicolide B 85.07
C00020524 9beta-Acetoxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 85.07
C00021414 Lapidolin 85.07
C00022672 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 85.07
C00033867 Gelomulide S
(-)-Gelomulide S		 85.07
C00040135 Querciformolide C
(+)-Querciformolide C		 85.07
C00043497 Eupachinilide F
(-)-Eupachinilide F		 85.07
C00044982 Orthosiphol Y
(-)-Orthosiphol Y		 85.07
C00045509 11-Homohydroxyldihydrovaltrate
(-)-11-Homohydroxyldihydrovaltrate		 85.07
C00046264 Pachyclavulariaenone E
(+)-Pachyclavulariaenone E		 85.07
C00040913 Casearin S 84.29
C00003192 T-2 toxin 84.06
C00012656 12,13-Epoxy-trichothec-9-ene-3a,4b,8,15-tetrol 4,15-diacetate 8-isovalerate 84.06
C00037754 Rouyolide D
(+)-Rouyolide D		 84.06
C00037755 Rouyolide E
(+)-Rouyolide E		 84.06
C00044153 Enanderianin A
(-)-Enanderianin A		 84.06
C00049351 5alpha-Cholestane-3beta,6beta,8,15alpha,16beta,26-hexaol 84.06
C00012149 (-)-Ichthyotherminolide
Ichthyotherminolide		 83.82
C00039509 Jungermatrobrunin A 83.82
C00042033 10-Deacetyltaxuyunnanine C
(+)-10-Deacetyltaxuyunnanine C		 83.82
C00046012 Hongdoushan C
(+)-Hongdoushan C		 83.82
C00046156 Milolide F
(+)-Milolide F		 83.82
C00003267 Eupacunolin 83.58
C00003479 Rhodojaponin IV 83.58
C00011796 [3aR-[3aR*,4R*[E(E)],6E,9S*,10E,11aR*]]-2-[[(2,3,3a,4,5,8,9,11a-Octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl)oxy]carbonyl]-2-butenyl ester 2-(hydroxymethyl)-2-butenoic acid 83.58
C00012138 Rotundin 83.58
C00012281 Repandin E 83.58
C00012298 [3aS-[3aR*,4R*(S*),5R*,6E,10R*,11aS*]]-5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin B		 83.58
C00012371 Incaspitolide E 83.58
C00020439 Eupachifolin D 83.58
C00020566 3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 83.58
C00020567 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 83.58
C00020936 Inuviscolide 4-O-(6-acetyl-beta-D-glucopyranoside) 83.58
C00021027 Lemmonin A 83.58
C00021029 Lemmonin B 83.58
C00021265 Plagiochilin G 83.58
C00021269 Plagiochilin B 83.58
C00022386 Isoleosibirin 83.58
C00022399 Angeloylespinosanolide 83.58
C00022403 Angeloylgutespinolide 83.58
C00022569 3alpha-Angeloyloxy-2alpha,4beta-dihydroxy-15,16-epoxy-cis-clerodane-1(10),13(16),14-trien-20,12-olide 83.58
C00023187 Eupalinilide J 83.58
C00023205 18-O-Malonyl-kingidiol-19-O-acetate 83.58
C00023493 Isolinaritriol triacetate 83.58
C00030487 Hiyodorilactone F 83.58
C00031121 Rabdosin B
(+)-Rabdosin B		 83.58
C00032484 Vernolide D
(+)-Vernolide D		 83.58
C00033861 Gelomulide M 83.58
C00033862 Gelomulide N
(+)-Gelomulide N		 83.58
C00033863 Gelomulide O
(+)-Gelomulide O		 83.58
C00033868 Gelomulide T
(-)-Gelomulide T		 83.58
C00036785 Atticin
(+)-Atticin		 83.58
C00037751 Rouyolide A
(+)-Rouyolide A		 83.58
C00040694 Xerophilusin X
(+)-Xerophilusin X		 83.58
C00040906 Calcicolin B
(-)-Calcicolin B		 83.58
C00040971 Glabcensin H
(-)-Glabcensin H		 83.58
C00040972 Glabcensin I
(-)-Glabcensin I		 83.58
C00040974 Glabcensin K
(-)-Glabcensin K		 83.58
C00042052 15-Acetoxyheliangin 83.58
C00042345 Caseargrewiin D
(-)-Caseargrewiin D		 83.58
C00042495 Epoxycladine B
(-)-Epoxycladine B		 83.58
C00042557 Glaucolide K
(-)-Glaucolide K		 83.58
C00042647 Klyxumine A
(+)-Klyxumine A		 83.58
C00045207 Adenanthin G
(-)-Adenanthin G		 83.58
C00045453 Xanthanthusin I
(-)-Xanthanthusin I		 83.58
C00045454 Xanthanthusin J
(+)-Xanthanthusin J		 83.58
C00047568 Simplexin A
(-)-Simplexin A		 83.58
C00050338 Cardivin C 83.58
C00050409 Zahavin A 83.58
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