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


and

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




INPUT WORD = C00012066 , 50% or more
[ Metabolite Name : Ligularinone A ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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 95.45
C00037754 Rouyolide D
(+)-Rouyolide D		 92.75
C00037755 Rouyolide E
(+)-Rouyolide E		 92.75
C00037751 Rouyolide A
(+)-Rouyolide A		 92.42
C00037756 Rouyolide F
(+)-Rouyolide F		 90.91
C00011994 Zinaflorin I 89.71
C00003294 Gradolide 89.39
C00003160 Laserpitin 87.88
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 87.88
C00041390 Briarellin Q 87.88
C00044585 Briarellin O
(-)-Briarellin O		 87.88
C00021152 Pulchelloid D 86.76
C00042258 Australin C
(+)-Australin C		 86.76
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 86.57
C00042494 Epoxycladine A
(+)-Epoxycladine A		 86.57
C00042495 Epoxycladine B
(-)-Epoxycladine B		 86.57
C00048541 Sinuolatin D
(-)-Sinuolatin D		 86.57
C00050338 Cardivin C 86.57
C00012281 Repandin E 86.36
C00020524 9beta-Acetoxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 86.36
C00020875 Acetylisomontanolide 86.36
C00021326 Triflorestevione 86.36
C00021327 Rastevione 86.36
C00021396 Pallinin 86.36
C00022219 Erigerol 86.36
C00022672 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 86.36
C00037752 Rouyolide B
(+)-Rouyolide B		 86.36
C00012374 (+)-Divaricin C
Divaricin C		 85.71
C00050336 Cardivin A
(-)-Cardivin A		 85.51
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 85.29
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 85.29
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 85.07
C00021746 8beta-Hydroxyproustianol angelicate 85.07
C00023187 Eupalinilide J 85.07
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 85.07
C00043497 Eupachinilide F
(-)-Eupachinilide F		 85.07
C00045041 Reissantin D 85.07
C00046264 Pachyclavulariaenone E
(+)-Pachyclavulariaenone E		 85.07
C00012135 Vicolide C 84.85
C00012287 Melcanthin A 84.85
C00012303 Piptolepolide 84.85
C00013186 (-)-Malkangunin
Malkangunin
Malkanguniol 4-acetate 5-benzoate
[3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate		 84.85
C00020559 Talassin A 84.85
C00020589 Berlandin 84.85
C00020697 Zoapatanolide D 84.85
C00021357 Homofukinolide 84.85
C00021414 Lapidolin 84.85
C00021748 Proustianol angelicate 84.85
C00022673 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroxycostic acid methyl ester 84.85
C00029409 17,18-Epoxy-8-O-acetyl pumilin 84.85
C00030992 Philadelphinone 84.85
C00031516 15-O-Methyl-18-oxoneovibsanin F
(+)-15-O-Methyl-18-oxoneovibsanin F		 84.85
C00033483 Vibsanin L
(-)-Vibsanin L		 84.85
C00035787 2,3-Epoxyjuanislamin 84.85
C00038983 Dendronpholide Q
(+)-Dendronpholide Q		 84.85
C00039297 Granosolide B
(-)-Granosolide B		 84.85
C00042497 Epoxycladine D
(-)-Epoxycladine D		 84.85
C00042557 Glaucolide K
(-)-Glaucolide K		 84.85
C00043999 Vibsanin P
(+)-Vibsanin P		 84.85
C00044003 Vibsanin T
(+)-Vibsanin T		 84.85
C00044004 Vibsanin U
(+)-Vibsanin U		 84.85
C00045436 Vibsanol B
(+)-Vibsanol B		 84.85
C00047568 Simplexin A
(-)-Simplexin A		 84.85
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