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


and

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




INPUT WORD = C00012081 , 50% or more
[ Metabolite Name : Ligularinone B ]
Number of matched data : 80

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020243 2alpha-Angeloyloxy-9-oxoisoanhydrooplopanone 93.88
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 91.84
C00021382 Linkiol 91.84
C00022666 3beta-Angeloyloxyisocostic acid methyl ester 90.20
C00012830 [2R-[2alpha,4aalpha,5beta(Z),8abeta]]-Decahydro-4a-methyl-alpha,8-bis(methylene)-5-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 89.80
C00021701 9beta-(2-Methyl butyryloxy)-costunolide 89.80
C00033909 Henrilabdane C
(+)-Henrilabdane C		 89.80
C00012360 Cyathin B5
Tanacin
Tanacin		 88.46
C00020743 [1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-4-ethoxy-1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 88.24
C00003450 Lathyrol 88.00
C00021347 8-Angeloyloxy-14-thapsanol 88.00
C00021807 5alpha-Angeloyloxy-11beta-hydroxysilphinen-3-one 88.00
C00000413 Hepoxilin B3 87.76
C00011418 1-(3,3-Dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester 2-methyl-2-butenoic acid 87.76
C00011419 [R-[R*,R*-(Z,E,E,E)]]-1-(3,3-Dimethyloxiranyl)-9-hydroxy-3,7-dimethyl-3,5,7-nonatrienyl ester 2-methyl-2-butenoic acid 87.76
C00011425 (Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid 87.76
C00012430 [1R-[1R*,2E,4S*(Z),6E,10S*]]-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-yl ester 2-methyl-2-butenoic acid 87.76
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		 87.76
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 87.76
C00020253 2alpha-Angeloxyanhydrooplopanone 87.76
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 87.76
C00020741 2-Acetylzafronic acid 87.76
C00020747 [1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 87.76
C00021406 Lapidin 87.76
C00022103 (E,Z,Z)-3,7,11-Trihydroxymethyl-15-methyl-2,6,10,14-hexadecatetraen-1-ol 87.76
C00022225 (E)-ent-3beta-3,18-Dihydroxy-8(17),13-labdadien-15-oic acid 87.76
C00022226 Henrilabdane A
(-)-Henrilabdane A		 87.76
C00022227 (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid 87.76
C00041459 Crassocolide E
(+)-Crassocolide E		 87.76
C00043401 Cleospinol C
(+)-Cleospinol C		 87.76
C00043402 Cleospinol D 87.76
C00044207 Jatrowedione
(+)-Jatrowedione		 87.76
C00050213 Sandensolide 87.76
C00013026 Badkhysidin
[3R-[3alpha,3abeta,5aalpha,6beta(Z),6abeta,7abeta,8abeta,8balpha]]-Dodecahydro-3,5a-dimethyl-8-methylene-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 86.79
C00012063 [1R-[1R*,4R*,6R*,7R*(Z),8R*,11R*]]-8-(1-Hydroxy-1-methylethyl)-4,11-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodec-7-yl ester 2-methyl-2-butenoic acid 86.54
C00012874 Pulchellin F
[3aR-[3aalpha,4aalpha,6beta,7alpha(Z),8abeta,9aalpha]]-Dodecahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid		 86.54
C00020893 Carolenin 86.54
C00020959 3-O-TigloylCarolenalin 86.54
C00003339 Nobilin 86.27
C00011780 Mollisorin A 86.27
C00042885 Pulicanaral A
(+)-Pulicanaral A		 86.27
C00047259 Isoscoparin L
(-)-Isoscoparin L		 86.27
C00047954 Knightol acetate 86.27
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate		 86.00
C00022304 8beta,13R-Epoxy-14R,15,18-eperuanetriol 86.00
C00022305 ent-14,15,19-Trihydroxymanoyl oxide 86.00
C00032500 Vitexifolin E 86.00
C00000892 Rosenonolactone 85.71
C00012174 Hallerin 85.71
C00012330 Subcordatolide D 85.71
C00012849 Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid 85.71
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 85.71
C00021410 Vaginatin
Crispanone		 85.71
C00021686 Salonitenolide 8-O-angelate 85.71
C00021702 9beta-Isovaleryloxy costunolide 85.71
C00022100 8,12,19-Trihydroxygeranylnerol 85.71
C00022111 (E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol 85.71
C00022224 (E)-ent-2alpha-17-Dihydroxy-7,13-labdienepentenoic acid 85.71
C00022249 (ent-13S)-15,16-Dihydroxy-8(17)-labden-18-oic acid 85.71
C00022358 8alpha,12R-Epoxy-13E-labden-1beta,11alpha-diol 85.71
C00022359 8alpha,12R-Epoxy-11alpha-hydroxy-13E-labden-1-one 85.71
C00022407 13S-Hydroxy-7,14-labdadien-19-oic acid 85.71
C00022484 13alpha-Hydroxy-8,14-labdadien-19-oic acid 85.71
C00022722 13-Epicupressic acid
(+)-13-Epicupressic acid		 85.71
C00022736 Sterebin E 85.71
C00022737 Sterebin F 85.71
C00022785 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene 85.71
C00023291 Pinifolic acid 85.71
C00023325 Blepharizol A 85.71
C00029599 8beta,13beta-Oxidoeperu-14-en-18-oic acid
(-)-8.beta,13.beta-Oxidoeperu-14-en-18-oic acid		 85.71
C00033908 Henrilabdane B
(-)-Henrilabdane B		 85.71
C00034695 Steviol
(-)-Steviol		 85.71
C00037366 Kanshone F
(-)-Kanshone F		 85.71
C00039915 Pacificanone A 85.71
C00039916 Pacificanone B
(-)-Pacificanone B		 85.71
C00045080 Sterebin I 85.71
C00045081 Sterebin J
(+)-Sterebin J		 85.71
C00046880 Rosololactone 85.71
C00046897 Sarcocrassolide
(+)-Sarcocrassolide		 85.71
C00049686 (-)-16alpha-Hydroxykauran-19-oic acid 85.71
Page Top