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


and

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




INPUT WORD = C00050186 , 50% or more
[ Metabolite Name : Petasone A , (+)-Petasone A ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00050187 Petasone B
(-)-Petasone B		 97.96
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 93.88
C00017012 Neo-S-petasin 93.88
C00050185 Petasinol
(+)-Petasinol		 93.88
C00017015 S-Japonin 89.80
C00050236 S-Petasitin 89.80
C00017403 S-Petasitolide B 88.00
C00017402 S-Petasitolide A 86.00
C00003169 Petasin 85.71
C00016967 Petasitin 85.71
C00016971 Eremofortin C 85.71
C00017414 [4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 84.00
C00017418 [4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 84.00
C00017425 [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 84.00
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 84.00
C00049435 Bipinnatin J
(-)-Bipinnatin J		 84.00
C00003176 PR toxin 83.67
C00012446 Caucalol diacetate 83.67
C00012447 (-)-Neocaucalol diacetate
Neocaucalol diacetate		 83.67
C00012696 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid		 83.67
C00017435 6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one 83.67
C00022430 16-Hydroxy-6-oxo-7,ent-13E-labdasien-15-oic acid 83.67
C00023447 Relhaniaic acid 83.67
C00038578 Barbiacoradienone 83.67
C00020806 Ferulide 82.69
C00032495 Viteagnusin B
(+)-Viteagnusin B		 82.35
C00012905 [4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester3-methylbutanoic acid 82.00
C00017400 Petasitolide A 82.00
C00017401 Petasitolide B 82.00
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 82.00
C00021888 1,10-Diacetoxy-3,15-epoxygymnomitrane 82.00
C00012647 [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate 81.63
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 81.63
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 81.63
C00016173 (-)-Benzastatin D
Benzastatin D
Benzastatine D		 81.63
C00017303 Palmosalide B 81.63
C00017367 3beta-Angeloyloxyfuranoeremophilane 81.63
C00017417 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane 81.63
C00017419 6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane 81.63
C00017426 6beta-(2-Methylacryloyloxy)-9-oxoeuryopsin 81.63
C00020238 Petasipalin A 81.63
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 81.63
C00021702 9beta-Isovaleryloxy costunolide 81.63
C00022041 Dimerobrasiolide 81.63
C00022224 (E)-ent-2alpha-17-Dihydroxy-7,13-labdienepentenoic acid 81.63
C00022785 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene 81.63
C00028527 Lycoposerramine N 81.63
C00037366 Kanshone F
(-)-Kanshone F		 81.63
C00040222 Sarcostolide E
(-)-Sarcostolide E		 81.63
C00040223 Sarcostolide F
(+)-Sarcostolide F		 81.63
C00041655 Manaarenolide G
(-)-Manaarenolide G		 81.63
C00041656 Manaarenolide H
(-)-Manaarenolide H		 81.63
C00042883 Pulicanadiene C
(-)-Pulicanadiene C		 81.63
C00047064 Lobohedleolide
(+)-Lobohedleolide		 81.63
C00049094 6beta-Isobutyryloxysenberginone 81.63
C00049995 Aplykurodin B
(-)-Aplykurodin B		 81.63
C00049996 Aplykurodinone B 81.63
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