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


and

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




INPUT WORD = C00049153 , 50% or more
[ Metabolite Name : Eremopetasitenin C2 , (-)-Eremopetasitenin C2 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00049156 Eremopetasitenin D2
(+)-Eremopetasitenin D2		 98.53
C00017353 (S)-Furanopetasitin 88.24
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 85.29
C00017307 [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 85.29
C00017344 [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid 85.29
C00020534 Pericomin 85.29
C00012372 Ineupatolide 84.29
C00012375 Divaricin B 84.29
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 83.82
C00011994 Zinaflorin I 83.82
C00012044 Juniperin
Juniperin(Zinnia)		 83.82
C00012194 Liacylindrolide 83.82
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 83.82
C00017444 (4alpha,4aalpha,5alpha,7alpha,8beta,8abeta)-(-)-7-Hydroxy-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-4-(2-methyl-1-oxopropoxy)-9-oxonaphtho[2,3-b]furan-8-yl ester 3-methyl-2-butenoic acid 83.82
C00021152 Pulchelloid D 83.82
C00021357 Homofukinolide 83.82
C00022350 Hamachilobene A 83.82
C00033859 Gelomulide G
(+)-Gelomulide G		 83.82
C00033867 Gelomulide S
(-)-Gelomulide S		 83.82
C00042092 2beta,9alpha,14alpha-Triacetoxy-3alpha-hydroxy-1(15),8(19)-trinervitadiene
(+)-2beta,9alpha,14alpha-Triacetoxy-3alpha-hydroxy-1(15),8(19)-trinervitadiene		 83.82
C00049154 Eremopetasitenin C3
(-)-Eremopetasitenin C3		 83.82
C00050409 Zahavin A 83.82
C00020523 Hymenopappolide 82.86
C00020528 9beta-Acetoxy-3-chloro-8beta-(5-acetoxy-tiglinoyloxy)-dehydroleucodin 82.86
C00037754 Rouyolide D
(+)-Rouyolide D		 82.61
C00037755 Rouyolide E
(+)-Rouyolide E		 82.61
C00050336 Cardivin A
(-)-Cardivin A		 82.61
C00011772 7-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 3-(acetyloxy)-2-hydroxy-2-methyl-butanoic acid 82.35
C00012144 Chrestanolide 82.35
C00012287 Melcanthin A 82.35
C00012290 Melcanthin F 82.35
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 82.35
C00017345 [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid 82.35
C00017363 (-)-Kablicin
Kablicin
Kablicine		 82.35
C00020499 Prespicatin 82.35
C00020535 Isopericomin 82.35
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 82.35
C00021414 Lapidolin 82.35
C00022552 7beta-Angeloyloxyisochiliolide lactone 82.35
C00023343 Methoxynepetaefolin 82.35
C00029871 Caesalpinin D 82.35
C00031506 15beta-Methoxyfaciculatin
(-)-15beta-Methoxyfaciculatin		 82.35
C00032482 Vernolide B 82.35
C00033862 Gelomulide N
(+)-Gelomulide N		 82.35
C00033863 Gelomulide O
(+)-Gelomulide O		 82.35
C00035231 6-Acetylteucjaponin B 82.35
C00049155 Eremopetasitenin D1
(+)-Eremopetasitenin D1		 82.35
C00045203 Adenanthin C 81.69
C00012162 Isochapliatrin 81.43
C00046011 Hongdoushan B
(+)-Hongdoushan B		 81.43
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