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


and

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




INPUT WORD = C00042866 , 50% or more
[ Metabolite Name : Propanoic acid 2-methyl-3-hydroxy-2,4,4-trimethylpentyl ester ]
Number of matched data : 75

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010367 5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol 86.21
C00010399 6-Chloromethyl-3,8-dimethoxy-2-methyl-1,6-octadiene 86.21
C00010955 (-)-Paeonilactone A
Paeonilactone-A		 86.21
C00037964 Tschimganical A
(+)-Tschimganical A		 86.21
C00035675 Lavandulyl isobutyrate 83.87
C00010405 4,6-Dibromo-3,7-dichloro-3,7-dimethyl-1,2-epoxyoctane 83.33
C00010979 Cantharidin 83.33
C00011374 Crocinervolide 83.33
C00011961 Xanthostemone 83.33
C00017771 (+)-Patulolide C
Patulolide C		 83.33
C00023728 (-)-Helicascolide A 83.33
C00023729 (-)Helicascolide B 83.33
C00010284 Citeodiol 82.76
C00010285 Epicitreodiol 82.76
C00010393 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one 82.76
C00010435 1,6-Dibromo-2-chloro-3(8)-ochtoden-4-ol
5-Bromo-2-(2-bromo-1-chloroethl)-4,4-dimethyl-2-cyclohexen-1-ol		 82.76
C00010956 (+)-Paeonilactone B
Paeonilactone-B		 82.76
C00011411 2,6,10-Trimethyldodecane
Farnesane		 82.76
C00013221 Cybullol
2,[2S-(2alpha,4aalpha,5alpha,8abeta)]-Octahydro-5,8a-dimethyl-4a(2H)-naphthalenediol		 82.76
C00022689 6-Hydroxy-7(9)-dehydro-6,7-dihydroneryl acetate 82.76
C00030881 Octyl 2-methylbutyrate 82.76
C00030882 2-Octyl 3-methyl butyrate
Octyl isovalerate		 82.76
C00032377 trans-Pinocarvyl acetate 82.76
C00033091 Kobifuranone A 82.76
C00035586 Dihydroedulan I 82.76
C00038082 (+)-Loliolide 82.76
C00041504 Diplobifuranylone A
(-)-Diplobifuranylone A		 82.76
C00041505 Diplobifuranylone B
(-)-Diplobifuranylone B		 82.76
C00041581 Halomon
(-)-Halomon		 82.76
C00045804 Crocusatin F
(-)-Crocusatin F		 82.76
C00048136 Speciosin C
(+)-Speciosin C		 82.76
C00011724 4(15),5E,10(14)-Germacratrien-1alpha-ol 81.25
C00035539 beta-Isocyclolavandulyl isobutyrate 81.25
C00037346 Isosativene 81.25
C00003186 beta-Eudesmene
beta-Selinene		 80.65
C00010419 1,4,6-Tribromo-3,7-dichloro-3,7-dimethyl-2-octanol 80.65
C00011035 6-Acetoxy-trans-pinocarveol 80.65
C00012715 (-)-beta-Selinene
(-)-Eudesma-4(14),11-diene
[4aS-(4aalpha,7alpha,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 80.65
C00012716 5beta,10alpha-Eudesma-4(14),11-diene
[4aS-(4aalpha,7beta,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 80.65
C00012717 [4aR-(4aalpha,7alpha,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene 80.65
C00012718 beta-Helmiscapene
[4aR-(4aalpha,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 80.65
C00013222 [4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone 80.65
C00020044 (-)-epsilon-Bulgarene 80.65
C00020377 alpha-Guaiene
Guaia-1(5),11-diene		 80.65
C00020383 gamma-gurjunene epoxide
(+)-gamma-Gurjunene
gamma-Gurjunene		 80.65
C00022662 (E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol 80.65
C00036373 1,2-Epoxymenthyl acetate 80.65
C00047327 Omuralide
(-)-Omuralide		 80.65
C00000234 6-epi-7-Iso-cucurbic acid 80.00
C00000369 Virginiae butanolide C 80.00
C00000370 Virginiae butanolide E 80.00
C00010406 4,7-Dibromo-3,6-dichloro-3,7-dimethyl-1,2-epoxyoctane 80.00
C00010672 Rehmaglutin D 80.00
C00010847 (2S-cis)-5-(Acetyloxy)-5-methyl-2-(1-methylethyl)-cyclohexanone
1-Acetoxy-p-menthan-3-one		 80.00
C00011534 1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid 80.00
C00011720 (-)-Germacrene D
Germacrene D
(+)-germacrene D		 80.00
C00011959 Prosopidione 80.00
C00015665 Feigrisolide B 80.00
C00015967 CJ 14877
Methyl 5-(1,2-dihydroxypropyl)-2-pyridinecarboxylate		 80.00
C00017770 (R)-(+)-Patulolide B
Patulolide B		 80.00
C00017920 (-)-Methylenolactocin
Methylenolactocin
Methylenolactomycin		 80.00
C00034534 Herbarumin III
(+)-Herbarumin III		 80.00
C00035541 beta-Isocyclolavandulyl propionate 80.00
C00038624 Botryolide D
(-)-Botryolide D		 80.00
C00043131 (-)-Monascumic acid 80.00
C00043136 (+)-Monascumic acid 80.00
C00044290 Putaminoxin E 80.00
C00046160 MKN-003B 80.00
C00048135 Speciosin B
(+)-Speciosin B		 80.00
C00048137 Speciosin D
(+)-Speciosin D		 80.00
C00048434 Isogermacrene D
(-)-Isogermacrene D		 80.00
C00048814 Phomolide A 80.00
C00049826 Pantopyranoid B
(-)-Pantopyranoid B		 80.00
C00049827 Pantopyranoid C
(-)-Pantopyranoid C		 80.00
C00050105 Germacrene E 80.00
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