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


and

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





INPUT WORD = C00037755 , 50% or more
[ Metabolite Name : Rouyolide E , (+)-Rouyolide E ]
Number of matched data : 73

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00037754 Rouyolide D
(+)-Rouyolide D
100.00
C00037751 Rouyolide A
(+)-Rouyolide A
94.20
C00012374 (+)-Divaricin C
Divaricin C
92.86
C00011994 Zinaflorin I 92.75
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 92.75
C00012066 Ligularinone A 92.75
C00037756 Rouyolide F
(+)-Rouyolide F
92.75
C00050336 Cardivin A
(-)-Cardivin A
92.75
C00012372 Ineupatolide 91.43
C00012373 (+)-Divaricin A
Divaricin A
91.43
C00012375 Divaricin B 91.43
C00003294 Gradolide 91.30
C00050338 Cardivin C 91.30
C00020523 Hymenopappolide 90.00
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 89.86
C00020435 Graminichlorin 89.86
C00020875 Acetylisomontanolide 89.86
C00043497 Eupachinilide F
(-)-Eupachinilide F
89.86
C00012161 Chapliatrin 88.57
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 88.41
C00012165 [3aS-[3aR*,4R*,5S*(Z),6S*,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid 88.41
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 88.41
C00012954 [3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid 88.41
C00020456 Jamaicolide B 88.41
C00020534 Pericomin 88.41
C00020535 Isopericomin 88.41
C00020559 Talassin A 88.41
C00020566 3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 88.41
C00020567 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 88.41
C00023187 Eupalinilide J 88.41
C00037752 Rouyolide B
(+)-Rouyolide B
88.41
C00050337 Cardivin B
(-)-Cardivin B
88.41
C00012162 Isochapliatrin 87.14
C00003295 Graminiliatrin 86.96
C00012401 Incaspitolide A 86.96
C00020499 Prespicatin 86.96
C00020569 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-3,4-dihydro-lasiolaenin 86.96
C00020573 9-beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-ludartin 86.96
C00030487 Hiyodorilactone F 86.96
C00033787 Diversolide A
(-)-Diversolide A
86.96
C00038296 5'-Tigloyleupahakonenin B
5'-O-Tigloyleupahakonenin B
86.96
C00050339 Cardivin D
(-)-Cardivin D
86.96
C00011797 [3aR-[3aR*,4R*[E(E)],6E,9S*,10Z,11aR*]]-2-[[[9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy]carbonyl]-2-butenyl ester 2-(hydroxymethyl)-2-Butenoic acid 86.30
C00040114 Pulchellamine C
(+)-Pulchellamine C
85.92
C00043731 Minabein 1 85.71
C00003160 Laserpitin 85.51
C00011751 Liscunditrin 85.51
C00011872 Cordifolia 55 85.51
C00012138 Rotundin 85.51
C00012144 Chrestanolide 85.51
C00012148 Glaucolide D 85.51
C00012189 Caudatol 85.51
C00012281 Repandin E 85.51
C00012287 Melcanthin A 85.51
C00012313 Caleurticolide angelate 85.51
C00012371 Incaspitolide E 85.51
C00012397 Incaspitolide D 85.51
C00020439 Eupachifolin D 85.51
C00020524 9beta-Acetoxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 85.51
C00020589 Berlandin 85.51
C00020694 Zoapatanolide C 85.51
C00020697 Zoapatanolide D 85.51
C00021152 Pulchelloid D 85.51
C00021326 Triflorestevione 85.51
C00021327 Rastevione 85.51
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 85.51
C00031934 Junceellolide I
(-)-Junceellolide I
85.51
C00033601 8-O-Angeloyl-9-acetylanthemolide B 85.51
C00033788 Diversolide B
(-)-Diversolide B
85.51
C00033934 Hydruntinolide C
(-)-Hydruntinolide C
85.51
C00035787 2,3-Epoxyjuanislamin 85.51
C00041627 Leucasperone A
(+)-Leucasperone A
85.51
C00044989 Pachyclavulariolide M
(-)-Pachyclavulariolide M
85.51
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