"Twins" retrives similar metabolites in chemical structure.
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"Twins" retrives similar metabolites in chemical structure. |
| last update : 2020.01.06 |
| INPUT WORD = C00012552 , 50% or more |
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| [ Metabolite Name : (-)-Debromoaplysin , Debromoaplysin , [3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-1H-cyclopenta[b]benzofuran ] | |
| Number of matched data : 65 | |
| CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
|---|---|---|---|---|
| C00012537 | [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol Debromolaurinterol |
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97.06 | C00012577 | (1R-cis)-2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol 7-Hydroxylaurene Debromoallolaurinterol |
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97.06 | C00012551 | [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-2,3,3a,8b-tetrahydro-3,3a,6,8b-tetramethyl-1H-cyclopenta[b]benzofuran Aplysin (7CI) (-)-Aplysin Aplysin |
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94.44 | C00012555 | Isoaplysin [3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran |
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94.44 | C00012568 | Isolaurinterol (1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol |
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94.29 | C00042680 | Laur-11-en-1,10-diol (-)-Laur-11-en-1,10-diol |
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94.29 | C00042681 | Laur-11-en-10-ol (-)-Laur-11-en-10-ol |
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94.12 | C00012538 | [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol Neolaurinterol |
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91.67 | C00012539 | Laurinterol [1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol |
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91.67 | C00012540 | [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methyl-2,5-cyclohexadiene-1,4-dione (-)-Laurequinone Laurequinone |
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91.67 | C00012560 | [2S-(2alpha,5alpha,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2,5,8,10-tetramethyl-2,5-methano-1-benzoxepin (-)-Filiformin Filiformin |
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91.67 | C00012564 | (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin |  |
91.67 | C00012512 | 2,3-Dihydroxycuparene (S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol |
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91.43 | C00012567 | cis-(-)-2-[2-(Bromomethylene)-1,3-dimethylcyclopentyl]-5-methylphenol (-)-Isolaurenisol Isolaurenisol |
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91.43 | C00012579 | cis-(+)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-5-methylphenol 10-Bromo-7-hydroxylaurene Allolaurinterol |
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91.43 | C00012580 | Laurenisol |  |
91.43 | C00002996 | (+)-8-Hydroxycalamenene |  |
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91.18 | C00011626 | 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one 1,3,5,11-Bisabolatetraen-10-one |
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91.18 | C00011627 | 1,3,5-Bisabolatrien-10-one 2-Methyl-6-(4-methylphenyl)-3-heptanone |
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91.18 | C00012504 | alpha-bromocuparane alpha-Bromocuparene Bromocuparene (1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene |
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91.18 | C00012514 | alpha-Isocuparenol |  |
91.18 | C00012515 | alpha-Cuparenol |  |
91.18 | C00012534 | Cyclolaurene [1S-(1alpha,2beta,5alpha)]-1,2-Dimethyl-2-(4-methylphenyl)bicyclo[3.1.0]hexane |
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91.18 | C00012543 | (-)-alpha-Herbertenol alpha-Herbertenol 4-Hydroxyisocuparene (S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol |
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91.18 | C00012556 | (1S-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methyl-1,4-cyclohexadiene 12-Bromo-4(13),6,9-lauratriene |
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91.18 | C00012557 | (1R-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methylbenzene 12-Bromo-4(13),6,8,10-lauratetracene |
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91.18 | C00012573 | (-)-Epilaurene (1R-trans)-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene |
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91.18 | C00021314 | Podocephalol |  |
91.18 | C00035050 | (+)-ar-Dihydroturmerone ar-Dihydroturmerone |
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91.18 | C00042434 | Cyclolauren-2-ol (+)-Cyclolauren-2-ol |
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91.18 | C00049250 | Parahigginol A (-)-Parahigginol A |
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91.18 | C00012553 | Aplysinol [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol |
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89.47 | C00012554 | [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde Aplysinal |
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89.47 | C00041270 | 3beta-Hydroxyaplysin (-)-3beta-Hydroxyaplysin |
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89.47 | C00012563 | [2S-(2alpha,5beta,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-2,5-methano-1-benzoxepin Iodoether A |
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89.19 | C00012544 | (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde (-)-alpha-Formylherbertenol |
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88.57 | C00012545 | (-)-Herbertenediol Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol |
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88.57 | C00036366 | 1,13-Dihydroxyherbertene |  |
88.57 | C00036367 | 1,15-Dihydroxyherbertene |  |
88.57 | C00042034 | 10-epi-7,10-epoxy-ar-bisabol-11-ol |  |
88.57 | C00042167 | 7,10-Epoxy-ar-bisabol-11-ol |  |
88.57 | C00042682 | Laur-11-en-2,10-diol |  |
88.57 | C00011619 | (-)-Curcuhydroquinone (R)-2-(1,5-Dimethyl-4-hexenyl)-5-methyl-1,4-benzenediol |
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88.24 | C00011620 | (-)-Curcuphenol (R)-(-)-Curcuphenol (R)-Curcuphenol Curcuphenol |
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88.24 | C00011621 | (+)-Curcuphenol (S)-(+)-Curcuphenol (S)-Curcuphenol |
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88.24 | C00011635 | (+)-Curcudiol (S)-(+)-Curcudiol Curcudiol |
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88.24 | C00011687 | (-)-Curcuquinone (S)-(-)-Curcuquinone Curcuquinone Deoxyperezone Desoxyperezone |
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88.24 | C00011943 | Himaphenolone Himasecolone |
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88.24 | C00012508 | (+)-Cuparene Cuparene (R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)-benzene (R)-Cuparene |
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88.24 | C00012509 | gamma-Cuparenol |  |
88.24 | C00012510 | (-)-Cuparene (S)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene (S)-(-)-Cuparene |
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88.24 | C00012511 | (-)-delta-Cuparenol (S)-2-Hydroxycuparene delta-Cuparenol Cuparophenol (S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol |
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88.24 | C00012513 | (S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone Cyclopentanone, 2,2,3-trimethyl-3-p-tolyl-, (S)-(+)- (+)-alpha-Cuparenone (+)-Cuparenone alpha-Cuparenone |
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88.24 | C00012516 | (+)-beta-Cuparenone beta-Cuparenone beta-Cuparenone |
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88.24 | C00012529 | gamma-Cuprenene 4-Cuprenene Buprenene IV |
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88.24 | C00012569 | (1R,2S)-(+)-p-(1,2-Dimethyl-3-methylenecyclopentyl)toluene (+)-Laurene |
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88.24 | C00012570 | (1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)benzenemethanol Laurenol |
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88.24 | C00012572 | (1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)benzaldehyde Laurenal |
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88.24 | C00012575 | (1R-cis)-1-(1,2-dimethyl-3-methylenecyclopentyl)-4-methyl-1,4-Cyclohexadiene Isodihydrolaurene |
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88.24 | C00012576 | (1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol Isodihydrolaurenol |
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88.24 | C00020073 | 5-Hydroxycalamenene |  |
88.24 | C00032432 | Turmeronol B (+)-Turmeronol B |
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88.24 | C00033917 | Hofmeisterin III |  |
88.24 | C00035990 | (-)-gamma-Herbertenol |  |
88.24 | C00040139 | R-(-)-alpha-Cuparenone (-)-R-(-)-alpha-Cuparenone |
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88.24 |