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


and

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




INPUT WORD = C00010831 , 50% or more
[ Metabolite Name : Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid ]
Number of matched data : 65

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010832 2-Methyl-4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl ester isobutyrate 95.92
C00010833 2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 90.20
C00045150 1',2'-Epoxy-3',4'-di-isobutyryl-Z-coniferyl alcohol 89.80
C00021112 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane 89.36
C00038116 10-Acetoxy-8,9-epoxythymolisobutyrate 89.36
C00042178 8,10-Epoxy-9-acetoxythymol angelate 89.36
C00010837 2-Methyl-2-[2-[(acetyloxy)methyl]oxiranyl]-4-methoxy-5-methylphenyl ester 87.76
C00046715 Debromohamigeran E
(-)-Debromohamigeran E		 87.23
C00045164 1'-Isovaleroyloxy-4-O-isobutyryleugenol
(-)-1'-Isovaleroyloxy-4-O-isobutyryleugenol		 85.42
C00049962 7alpha,15-Dihydroxyabieta-8,11,13-trien-18-al
(-)-7alpha,15-Dihydroxyabieta-8,11,13-trien-18-al		 85.42
C00021113 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate 85.11
C00031719 Danshenspiroketallactone 85.11
C00032356 Thymol glucoside
Thymol-beta-D-glucoside		 85.11
C00039128 epi-Danshenspiroketallactone 85.11
C00010835 (E)-2-Methyl-[2-[5-methoxy-4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]oxiranyl]methyl ester 84.91
C00010836 (E)-2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 84.91
C00048194 Terricollene B
(-)-Terricollene B		 83.67
C00035021 4-epi-Abieta-8,11,13-triene-7alpha,15,18-triol
(+)-4-epi-Abieta-8,11,13-triene-7alpha,15,18-triol		 83.33
C00049921 15,18-Dihydroxyabieta-8,11,13-trien-7-one
(-)-15,18-Dihydroxyabieta-8,11,13-trien-7-one		 83.33
C00002411 Toxyl angelate 82.98
C00002706 Paeonoside 82.98
C00003006 Monocerin 82.98
C00023736 Cavoxin 82.98
C00023737 Cavoxone 82.98
C00030419 Goniodiol-7-monoacetate 82.98
C00031697 Cryptotanshinone 82.98
C00036446 2-(4-Hydroxyphenyl)-1-nitroethane 82.98
C00036631 6-Methylcryptoacetalide 82.98
C00036633 6-Methylepicryptoacetalide 82.98
C00037117 erythro-1'-(4-Hydroxyphenyl)propane-1',2'-diol 4-O-beta-D-glucopyranoside 82.98
C00037912 threo-1'-(4-Hydroxyphenyl)propane 1',2'-diol 4-O-beta-D-glucopyranoside 82.98
C00046899 Sarcomejine
(+)-Sarcomejine		 82.98
C00047010 Aristogin C 82.98
C00049307 Sporovexin C
(-)-Sporovexin C		 82.98
C00029909 Carlaolide A
(-)-Carlaolide A		 82.35
C00016599 (+)-Phomactin G
Phomactin G		 81.63
C00033896 Grevilloside F
(-)-Grevilloside F		 81.63
C00037535 Myzodendrone 81.63
C00047617 (-)-7-Hydroxycannabichromane
(-)-(-)-7-Hydroxycannabichromane		 81.63
C00048193 Terricollene A
(+)-Terricollene A		 81.63
C00012910 Subcordatolide E
[3aR-(3aalpha,4aalpha,8beta,8abeta,9abeta)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-8-yl ester 2-methylpropanoic acid		 81.25
C00030240 Eurotirumin
1,8-Dihydroxy-4-methyl-7-(3-methyl-2-butenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene-9-carbaldehyde		 81.25
C00044498 Acronyculatin C 81.25
C00002066 Piperlongumine
Piplartine		 80.85
C00003219 Arteglasin A 80.85
C00010815 7-Isobutyryloxythymohydroquinone dimethyl ether 80.85
C00011430 5,8-Diacetoxynerolidol 80.85
C00012108 9alpha-Acetoxyparthenolide 80.85
C00019966 Murracarpin 80.85
C00020233 3-Acetoxy-6-methoxyprimnatrienone 80.85
C00022407 13S-Hydroxy-7,14-labdadien-19-oic acid 80.85
C00022484 13alpha-Hydroxy-8,14-labdadien-19-oic acid 80.85
C00023943 Formylfusarochromanone
2,2-Dimethyl-5-amino-6-(3'-N-formyl-4'-O-hydroxybutyryl)-4-chromone		 80.85
C00024140 Bungeiside B 80.85
C00026365 (+)-Sterculinine II 80.85
C00026497 (-)-Zanthodioline
Zanthodioline		 80.85
C00031477 (Z)-4-Coumaric acid 4-O-beta-D-glucopyranoside
(-)-(Z)-p-Coumaric acid 4-O-beta-D-glucopyranoside
4-O-beta-Glucopyranosyl-cis-p-coumaric acid
4-O-beta-Glucopyranosyl-cis-coumaric acid		 80.85
C00032471 Vanilloloside 80.85
C00034341 Xylaroside A
(+)-Xylaroside A		 80.85
C00034342 Xylaroside B
(+)-Xylaroside B		 80.85
C00035708 Officinalin isobutyrate 80.85
C00035944 3-Oxosaprorthoquinone
Salvisyrianone		 80.85
C00037916 Thymoquinol 2-O-beta-glucopyranoside
(-)-Thymoquinol 2-O-beta-glucopyranoside		 80.85
C00047535 Pestalotiopsone C 80.85
C00049752 Tournefolin A
(-)-Tournefolin A		 80.85
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