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


and

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




INPUT WORD = C00011664 , 50% or more
[ Metabolite Name : (R)-2-(1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011663 (R)-5-(1,5-dimethyl-4-hexenyl)-4-hydroxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid 96.00
C00011614 3-O-Methyl-2,5-dehydrosenecioodontol 88.46
C00011611 3-O-Methylsenecioodontol 86.54
C00011820 Arbutifolin 86.27
C00022457 ent-Labda-8(17),13-dien-19-oic acid-15,16-olide 86.00
C00043590 Hyperjovinol A
(+)-Hyperjovinol A		 86.00
C00017432 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid 84.91
C00021727 alpha-Perezol 84.62
C00021728 beta-Perezol 84.62
C00022606 11beta,13-Dihydroarbutifolin 84.31
C00011662 Hydroxyperezone monoangelate 84.00
C00020800 Vernudifloride 84.00
C00020824 8alpha-Isovaleryloxyeremanthine 84.00
C00022623 6-Oxogrindelic acid 84.00
C00032277 Taiwaniaquinone A 84.00
C00038578 Barbiacoradienone 84.00
C00049633 Elisabatin A
(+)-Elisabatin A		 84.00
C00049965 8beta-Isobutyryloxycumambranolide
(-)-8beta-Isobutyryloxycumambranolide		 84.00
C00011860 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 83.02
C00020525 9beta-Hydroxy-8beta-tiglinoyloxy-lasiolaenin 82.69
C00032282 Taiwaniaquinone F
(-)-Taiwaniaquinone F		 82.69
C00039844 Nepetaparnone
(-)-Nepetaparnone		 82.69
C00010833 2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 82.35
C00011798 3-Epinobilin 82.35
C00011800 3-Dehydronobilin 82.35
C00011977 Isoarbutifolin 82.35
C00016813 Sch 49027 82.35
C00023383 Sterebin B 82.35
C00042836 Peperobtusin B
(+)-Peperobtusin B		 82.35
C00003187 Shiromodiol diacetate 82.00
C00011392 (E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate 82.00
C00013052 8alpha-Isovaleryloxygazaniolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-2,3,3a,4,5,5a,9a,9b-Octahydro-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-methylbutanoic acid		 82.00
C00015455 TMC 96 82.00
C00017359 [4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 82.00
C00020521 Diaspanolide A 82.00
C00020798 Subexpinnatin 82.00
C00021190 Incaspin 82.00
C00021262 Plagiochiline C
Oxaplagiochene A		 82.00
C00022246 Cordobic acid 82.00
C00022248 7-Epicordobic acid 82.00
C00022276 6alpha-Hydroxygrindelic acid 82.00
C00022277 6beta-Hydroxygrindelic acid 82.00
C00022770 Pinusolidic acid 82.00
C00023344 Nivenolide 82.00
C00023502 Strigillanoic acid A 82.00
C00023938 Neogrifolin
E,E,5-Methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol		 82.00
C00030875 Obtuanhydride
(-)-Obtuanhydride		 82.00
C00031492 11,12,14-Trihydroxyabieta-8,11,13-trien-7-one 82.00
C00032280 Taiwaniaquinone D
(-)-Taiwaniaquinone D		 82.00
C00035579 Dictyol A 82.00
C00035655 Hydroxycrenulide
(+)-Hydroxycrenulide		 82.00
C00036880 Carnosic acid 82.00
C00038138 12-Deoxy-6-hydroxy-6,7-dehydroroyleanone 82.00
C00041211 Tintinnadiol 82.00
C00042635 Isopeperobtusin A 82.00
C00042835 Peperobtusin A
(+)-Peperobtusin A		 82.00
C00045156 15-Isovaleroyloxycostunolide 82.00
C00046662 Chapecoderin A
(+)-Chapecoderin A		 82.00
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