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


and

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




INPUT WORD = C00003169 , 50% or more
[ Metabolite Name : Petasin ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00016967 Petasitin 91.84
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 91.49
C00017012 Neo-S-petasin 91.49
C00023447 Relhaniaic acid 91.49
C00050185 Petasinol
(+)-Petasinol		 89.80
C00050187 Petasone B
(-)-Petasone B		 89.80
C00017367 3beta-Angeloyloxyfuranoeremophilane 89.58
C00037366 Kanshone F
(-)-Kanshone F		 89.58
C00020253 2alpha-Angeloxyanhydrooplopanone 89.36
C00023445 Friedolabdaturbinic acid 89.36
C00022364 Carterochaetaic acid 87.50
C00033535 18-Hydroxyhugorosenone
(+)-18-Hydroxyhugorosenone		 87.50
C00023334 13E-Labdene-3beta,8alpha,15-triol 87.23
C00023336 13Z-Labdene-8alpha,15,16-triol 87.23
C00023358 8beta,15-Dihydroxy-ent-labda-13E-en-3-one 87.23
C00023442 ent-15-Hydroxy-1(10),13E-Halimadiene-2alpha-one 87.23
C00031523 1alpha-Angeloyloxycarotol 87.23
C00033577 6-Angeloyljaeschkeanadiol
Jaeschkeanadiol 6-angelate		 87.23
C00033925 Hugorosenone
(+)-Hugorosenone		 87.23
C00040743 (+)-(4->2)-abeo-Kolavelool-3-oic acid 87.23
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 86.00
C00023440 ent-13,14-Epoxy-15-hydroxy-1(10)-halimen-18-oic acid 86.00
C00012174 Hallerin 85.71
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		 85.71
C00016971 Eremofortin C 85.71
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 85.71
C00021382 Linkiol 85.71
C00021406 Lapidin 85.71
C00021410 Vaginatin
Crispanone		 85.71
C00021686 Salonitenolide 8-O-angelate 85.71
C00045294 Dunniana acid A
(+)-Dunniana acid A		 85.71
C00050186 Petasone A
(+)-Petasone A		 85.71
C00017364 Furanojaponin 85.42
C00017370 Albopetasin
Albopetasine		 85.42
C00023174 ent-6-Oxo-labda-7,12E,14-triene-17,11-olide 85.42
C00047839 Dapholdhamine B
(-)-Dapholdhamine B		 85.42
C00048665 Clavirolide C 85.42
C00016972 Eremofortin A 85.11
C00020132 [1S-[1alpha,2beta(Z),4aalpha,8aalpha]]-1,2,4a,5,6,8a-Hexahydro-4a-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid 85.11
C00022360 8alpha,12S-Epoxy-13E-labden-6beta-ol 85.11
C00022363 Carterochaetol 85.11
C00022365 2alpha-Hydroxymanoyl oxide 85.11
C00022366 2-keto-Manoyl oxide
2-Oxomanoyl oxide		 85.11
C00022367 ent-2alpha-Hydroxy-13-epimanoyl oxide 85.11
C00022485 8(17),13Z-Labdadien-2alpha,15-diol 85.11
C00023441 ent-1(10),13E-Halimadiene-2alpha,15-diol 85.11
C00023446 Hydrohalimic acid 85.11
C00023448 ent-15-Oxo-1(10),13E-halimadien-15-oic acid 85.11
C00023450 ent-15-Oxo-1(10),13Z-halimadien-15-oic acid 85.11
C00023511 Cistodiol 85.11
C00033924 Hugorosenol
1(10),15-Rosadiene-2beta,3beta-diol		 85.11
C00038993 Deserticolic acid
(-)-Deserticolic acid		 85.11
C00039727 Malonganenone H 85.11
C00044423 15-hydroxy-cis-clerodan 3-ene-18-oic acid
(+)-15-hydroxy-cis-clerodan 3-ene-18-oic acid		 85.11
C00045295 Dunniana acid B
(+)-Dunniana acid B		 85.11
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