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


and

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




INPUT WORD = C00011663 , 50% or more
[ Metabolite Name : (R)-5-(1,5-dimethyl-4-hexenyl)-4-hydroxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid ]
Number of matched data : 97

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011664 (R)-2-(1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid 96.00
C00011662 Hydroxyperezone monoangelate 88.00
C00021727 alpha-Perezol 86.54
C00021728 beta-Perezol 86.54
C00021702 9beta-Isovaleryloxy costunolide 86.00
C00022529 Secochiliolide aldehyde 86.00
C00030875 Obtuanhydride
(-)-Obtuanhydride		 86.00
C00038578 Barbiacoradienone 86.00
C00040219 Sarcostolide B
(+)-Sarcostolide B		 86.00
C00040220 Sarcostolide C
(+)-Sarcostolide C		 86.00
C00040223 Sarcostolide F
(+)-Sarcostolide F		 86.00
C00040224 Sarcostolide G
(+)-Sarcostolide G		 86.00
C00040940 Dichroanal A
(+)-Dichroanal A		 86.00
C00041844 Sarcophytonolide E
(+)-Sarcophytonolide E		 86.00
C00010963 [1S-[1alpha(E),3(E),5beta,6alpha]]-5-hydroxy-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester 84.62
C00034936 Coleon U 84.62
C00034937 Coleon U quinone 84.62
C00050379 Leopersin L
(-)-Leopersin L		 84.62
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 84.31
C00022244 Havardic acid D 84.31
C00023384 Sterebin C 84.31
C00003475 Portulal 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
C00020521 Diaspanolide A 84.00
C00020802 [3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid 84.00
C00022623 6-Oxogrindelic acid 84.00
C00040221 Sarcostolide D
(+)-Sarcostolide D		 84.00
C00041842 Sarcophytonolide C
(+)-Sarcophytonolide C		 84.00
C00012631 (+)-Calonectrin
Calonectrin		 83.02
C00034947 Phyllostachysin E
(+)-Phyllostachysin E		 83.02
C00040557 Trigonochinene C
(-)-Trigonochinene C		 83.02
C00011611 3-O-Methylsenecioodontol 82.69
C00017415 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid 82.69
C00020503 Acroptin 82.69
C00021092 Ligulatin C 82.69
C00022461 6beta,7beta,9alpha-Trihydroxy-8,13-epoxy-labd-14-en-11-one 82.69
C00032278 Taiwaniaquinone B 82.69
C00032279 Taiwaniaquinone C 82.69
C00045120 Tricholomalide C
(-)-Tricholomalide C		 82.69
C00000166 1(10)E,8E-Millerdienolide 82.35
C00003408 Callicarpone 82.35
C00011848 1(10)E-Millerenolide 82.35
C00011977 Isoarbutifolin 82.35
C00022214 Cycloschkuhriadiol 82.35
C00023201 2beta,3beta-Dihydroxy-ent-cativic acid 82.35
C00023221 15-Acetoxy-14-hydroxy-labd-8(17)-ene 82.35
C00023383 Sterebin B 82.35
C00036682 ACTG toxin A 82.35
C00003187 Shiromodiol diacetate 82.00
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate		 82.00
C00003456 Montanin A 82.00
C00003488 Taxodione 82.00
C00003489 Taxodone 82.00
C00011392 (E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate 82.00
C00012214 Glabratolide 82.00
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
C00015455 TMC 96 82.00
C00016491 AKD 2A 82.00
C00016599 (+)-Phomactin G
Phomactin G		 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
C00020800 Vernudifloride 82.00
C00020824 8alpha-Isovaleryloxyeremanthine 82.00
C00021701 9beta-(2-Methyl butyryloxy)-costunolide 82.00
C00022050 (6E)-10,11-Dihydro-12,19-dioxogeranylnerol 82.00
C00022243 Havardic acid C 82.00
C00022263 1,9-Dideoxy-7-deacetylforskolin 82.00
C00022276 6alpha-Hydroxygrindelic acid 82.00
C00022277 6beta-Hydroxygrindelic acid 82.00
C00022468 6-Oxocativic acid 82.00
C00022736 Sterebin E 82.00
C00022737 Sterebin F 82.00
C00032274 Taiwaniaquinol B 82.00
C00032277 Taiwaniaquinone A 82.00
C00032856 Coronarin D 82.00
C00034772 5alpha-Hydroxymatricarin 82.00
C00035655 Hydroxycrenulide
(+)-Hydroxycrenulide		 82.00
C00036123 7alpha-Hydroxyroyleanone
Horminone		 82.00
C00037366 Kanshone F
(-)-Kanshone F		 82.00
C00037662 Polyalthic acid 82.00
C00039023 Didemnilactone A 82.00
C00039654 Lophodione 82.00
C00040222 Sarcostolide E
(-)-Sarcostolide E		 82.00
C00041845 Sarcophytonolide F
(+)-Sarcophytonolide F		 82.00
C00041940 Topsentolide B1
(+)-Topsentolide B1		 82.00
C00041941 Topsentolide B2
(+)-Topsentolide B2		 82.00
C00041942 Topsentolide B3
(+)-Topsentolide B3		 82.00
C00041943 Topsentolide C1
(+)-Topsentolide C1		 82.00
C00042881 Pulicanadiene A
(+)-Pulicanadiene A		 82.00
C00044498 Acronyculatin C 82.00
C00045080 Sterebin I 82.00
C00045081 Sterebin J
(+)-Sterebin J		 82.00
C00045463 Zaluzanin C isovalerate
(+)-Zaluzanin C isovalerate		 82.00
C00045607 Acalycixeniolide J
(+)-Acalycixeniolide J		 82.00
C00046522 Xeniolide H
(+)-Xeniolide H		 82.00
C00047957 Laurycolactone A 82.00
C00049435 Bipinnatin J
(-)-Bipinnatin J		 82.00
C00049463 Kallolide A 82.00
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