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


and

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




INPUT WORD = C00010982 , 50% or more
[ Metabolite Name : 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate ]
Number of matched data : 81

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010986 1,1,5-Trimethyl-2-formyl-4-(3-methyl-2-butenoyloxy)-2,5-cyclohexadiene 91.67
C00010985 1,1,5-Trimethyl-2-formyl-4-(E)-3-hydroxymethyl-2-butenoyloxy)-2,5-cyclohexadiene 89.47
C00011897 Atlantonic acid 88.89
C00011700 (+)-Epoxypuliglene
Epoxypuliglene		 86.49
C00034475 Dehydroflourensic acid
(-)-Dehydroflourensic acid		 86.49
C00039346 Hebelophyllene A
(-)-Hebelophyllene A		 86.49
C00039347 Hebelophyllene B
(-)-Hebelophyllene B		 86.49
C00039350 Hebelophyllene H
(-)-Hebelophyllene H		 86.49
C00011689 [R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid 86.11
C00011946 6-Hydroxy-14-sesquilimonenoic acid 86.11
C00012378 Cauleslactone 86.11
C00012415 [2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal 86.11
C00030615 Kikkanol F
(-)-Kikkanol F		 86.11
C00036064 Buddledone B 86.11
C00003205 Achillin 84.21
C00003248 Desacetoxymatricarin
Leucodin		 84.21
C00012921 8beta-Hydroxyasterolide
Atractylenolide III
Codonolactone
[4aS-(4aalpha,8abeta,9abeta)]-4a,5,6,7,8,8a,9,9a-Octahydro-9a-hydroxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one		 84.21
C00013042 2alpha-Hydroxysphaerantholide
[3aS-(3aalpha,5abeta,7alpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-7-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 84.21
C00013056 Rothin A
[3aR-(3aalpha,4alpha,5abeta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-4-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 84.21
C00017332 [3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 84.21
C00020833 Arbiglovin 84.21
C00020834 Carpesialactone 84.21
C00021026 2-Oxo-desoxyligustrin 84.21
C00021636 Laurencial 84.21
C00032152 Sinodielide C
(-)-Sinodielide C		 84.21
C00012035 Shonachalin D 83.78
C00012203 8-Deoxysalonitenolide 83.78
C00012383 [3aR-(3aR*,5E,8R*,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-8-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one 83.78
C00012393 Frutescin 83.78
C00012450 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Fexerol		 83.78
C00012485 Lychnopholic acid
Lychnophorolic acid		 83.78
C00017294 Flourensic acid
9-Oxo-7xi-eremophil-11(13)-en-12-oic acid		 83.78
C00020225 9-Oxo-12-hydroxy-10,11-dehydroageraphorone 83.78
C00020281 [1R-(1alpha,4abeta,5alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-5,8a-dimethyl-1,2,5-naphthalenetrimethanol 83.78
C00033470 Versicolactone B 83.78
C00003190 Sirenin
(-)-Sirenin
Sirenin (Allomyces)
l-Sirenin		 83.33
C00003258 Eremofrullanolide 83.33
C00010844 7-Isobutyryloxythymol methyl ether 83.33
C00011508 Helepuberic acid 83.33
C00011528 Cyclonerotriol 83.33
C00011601 (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one 83.33
C00011683 [1R-[1R*(cis),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid 83.33
C00011684 [1R-[1R*(trans),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid 83.33
C00011708 Shiromool 83.33
C00011731 Curdione
(+)-Curdione
(+)-Germacr-1(10)-ene-5,8-dione		 83.33
C00011903 (+)-Todomatuic acid 83.33
C00011904 (+)-Epitodomatuic acid
Epitodomatuic acid		 83.33
C00011953 Methyl nidorellaurinate 83.33
C00012414 [2alpha(E),3alpha(E)]-3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal 83.33
C00012487 Buddledin B 83.33
C00012520 Cuprenolide 83.33
C00012886 [3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one 83.33
C00013030 Feropodin
[3S-(3alpha,3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 83.33
C00013031 (+)-Frullanolide
[3aR-(3aalpha,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 83.33
C00017484 2-Deoxylemnacarnol 83.33
C00020708 Grilactone 83.33
C00020911 Ziniolide 83.33
C00020912 Xantholide A 83.33
C00020913 Xantholide B 83.33
C00021021 11beta,13-Dihydro-desoxo-achalensolide 83.33
C00021776 Clovane-2beta,9alpha-diol
Cloven-2beta,9alpha-diol
Clovanediol		 83.33
C00021778 Poitediol 83.33
C00026169 7-Angeloylretronecine
7-Angelylretronecine
O-7-Angelylretronecine
Retronecine 7-(2-methylcrotonate)		 83.33
C00026173 7-Tigloylheliotridine 83.33
C00026176 9-Angeloylretronecine
9-Angelylretronecine
9-O-Angelylretronecine		 83.33
C00026178 9-Tigloylretronecine
9-Tiglylretronecine
Retronecine 9-(trans-2-methylcrotonate)		 83.33
C00030338 Gajutsulactone A
(-)-Gajutsulactone A		 83.33
C00030339 Gajutsulactone B
(-)-Gajutsulactone B		 83.33
C00030809 Neocurdione 83.33
C00033145 Madolin J
(+)-Madolin J		 83.33
C00033574 6,7E-Dehydro-5,6-dihydroanthecotuloide 83.33
C00033575 6,7Z-Dehydro-5,6-dihydroanthecotuloide 83.33
C00034860 Indicumenone 83.33
C00035540 beta-Isocyclolavandulyl isovalerate 83.33
C00041755 Phomallenic acid A
(-)-Phomallenic acid A		 83.33
C00042879 Pulicanadienal A
(+)-Pulicanadienal A		 83.33
C00043546 Godotol A
(-)-Godotol A		 83.33
C00045352 Mokko lactone 83.33
C00045507 10-Oxodehydrodihydrobotrydial
(+)-10-Oxodehydrodihydrobotrydial		 83.33
C00046528 Xenitorin E
(-)-Xenitorin E		 83.33
C00046529 Xenitorin F
(-)-Xenitorin F		 83.33
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