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


and

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




INPUT WORD = C00035541 , 50% or more
[ Metabolite Name : beta-Isocyclolavandulyl propionate ]
Number of matched data : 86

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035539 beta-Isocyclolavandulyl isobutyrate 93.75
C00035538 beta-Isocyclolavandulyl acetate 93.33
C00011374 Crocinervolide 90.00
C00035540 beta-Isocyclolavandulyl isovalerate 88.24
C00012463 (+)-Humulenol II
Humulenol
Humulenol II		 87.50
C00050151 Madolin C 87.50
C00021959 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol 87.10
C00025559 3-Tigloyloxynortropane 87.10
C00035675 Lavandulyl isobutyrate 87.10
C00000850 Menthyl acetate 86.67
C00001321 Putaminoxin 86.67
C00007453 beta-Elemene
Cyclohexane		 86.67
C00010469 trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol 86.67
C00011722 beta-Germacrene C
(E,E)-1-Methyl-7-methylene-4-(1-methylethyl)-1,3-cyclodecadiene		 86.67
C00012011 delta-Elemene 86.67
C00012455 beta-Humulene 86.67
C00021957 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-ol 86.67
C00029325 (3S,5R,6S,9R)-Megastigman-3,9-diol 86.67
C00030882 2-Octyl 3-methyl butyrate
Octyl isovalerate		 86.67
C00035434 (-)-cis-beta-Elemene 86.67
C00036271 (-)-beta-Elemene 86.67
C00021899 Allohimachalol 84.85
C00021901 4-Ambiguen-1-ol 84.85
C00034854 Guai-6-en-10beta-ol 84.85
C00012459 (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al		 84.38
C00021780 delta9(12)-Capnellene 84.38
C00031308 Sarmentol A
(-)-Sarmentol A		 84.38
C00031309 Sarmentol B
(+)-Sarmentol B
9-epi-Sarmentol A		 84.38
C00031310 Sarmentol D 84.38
C00036063 Buddledone A 84.38
C00048825 Polydactin A 84.38
C00003186 beta-Eudesmene
beta-Selinene		 83.87
C00011971 Bicycloelemene
(-)-Bicycloelemene
3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane		 83.87
C00012715 (-)-beta-Selinene
(-)-Eudesma-4(14),11-diene
[4aS-(4aalpha,7alpha,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.87
C00012716 5beta,10alpha-Eudesma-4(14),11-diene
[4aS-(4aalpha,7beta,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.87
C00012717 [4aR-(4aalpha,7alpha,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene 83.87
C00012718 beta-Helmiscapene
[4aR-(4aalpha,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.87
C00013222 [4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone 83.87
C00020044 (-)-epsilon-Bulgarene 83.87
C00020377 alpha-Guaiene
Guaia-1(5),11-diene		 83.87
C00021310 gamma-Himachalene 83.87
C00034891 (+)-Sandvicene
Sandvicene		 83.87
C00037222 Guaiane 83.87
C00045567 4,11-Dimethyldodecanoic acid 83.87
C00048496 Nopyl acetate 83.87
C00000370 Virginiae butanolide E 83.33
C00000377 NFX-4 83.33
C00003147 alpha-Caryophyllene (obsol.)
alpha-Caryophyllene
alpha-Humulene
Humulene
(+/-)-alpha-Humulene		 83.33
C00003153 cis-alpha-Irone 83.33
C00003154 trans-alpha-Irone 83.33
C00007422 Tridecanoic acid 83.33
C00010326 3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
2,2,6-Trimethyl-2-vinyl-5-acetoxytetrahydropyran		 83.33
C00010367 5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol 83.33
C00011411 2,6,10-Trimethyldodecane
Farnesane		 83.33
C00011507 (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one 83.33
C00011634 Isobisabolene 83.33
C00011720 (-)-Germacrene D
Germacrene D
(+)-germacrene D		 83.33
C00011891 Libanotic acid 83.33
C00011893 [S-(R*,S*)]- 3-Methyl-6-(1-methyl-5-hexenyl)-2-cyclohexen-1-one 83.33
C00011959 Prosopidione 83.33
C00012012 (-)-gamma-Elemene
gamma-Elemene		 83.33
C00012014 alpha-Elemene
(+)-alpha-Elemene
(-)-alpha-Elemene		 83.33
C00012423 (-)-Noranthoplone
Noranthoplone		 83.33
C00012470 (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Rudbeckianone		 83.33
C00017771 (+)-Patulolide C
Patulolide C		 83.33
C00021958 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien 83.33
C00023728 (-)-Helicascolide A 83.33
C00023729 (-)Helicascolide B 83.33
C00029668 alpha-Cyclogeraniol acetate 83.33
C00029844 Borneol acetate
Bornyl acetate
Bornylacetate		 83.33
C00030347 gamma-Dodecalactone 83.33
C00030881 Octyl 2-methylbutyrate 83.33
C00032315 Teuhetenone A 83.33
C00034534 Herbarumin III
(+)-Herbarumin III		 83.33
C00034590 Lyratyl acetate 83.33
C00034801 beta-Irone 83.33
C00035258 cis-Sabinene hydrate acetate 83.33
C00035586 Dihydroedulan I 83.33
C00035611 Ethyl decanoate
Ethyl caprate		 83.33
C00035674 Lavandulyl acetate
(-)-Lavandulyl acetate		 83.33
C00043180 3,9-Dihydroxy-4-megastigmene 83.33
C00044290 Putaminoxin E 83.33
C00044936 Modiolin 83.33
C00045563 3-Hydroxy-beta-ionone 83.33
C00048814 Phomolide A 83.33
C00050105 Germacrene E 83.33
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