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


and

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




INPUT WORD = C00022662 , 50% or more
[ Metabolite Name : (E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022690 6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate 96.77
C00032567 (1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate 93.75
C00022688 6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate 93.55
C00022691 9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate 93.55
C00010286 1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one 90.32
C00011374 Crocinervolide 90.32
C00022686 6-Peroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate 90.32
C00022689 6-Hydroxy-7(9)-dehydro-6,7-dihydroneryl acetate 90.32
C00015965 Cladospolide D 87.50
C00010295 3,7-Dimethyl-2,5-octadiene-1,7-diol 87.10
C00010326 3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
2,2,6-Trimethyl-2-vinyl-5-acetoxytetrahydropyran		 87.10
C00010367 5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol 87.10
C00010847 (2S-cis)-5-(Acetyloxy)-5-methyl-2-(1-methylethyl)-cyclohexanone
1-Acetoxy-p-menthan-3-one		 87.10
C00011035 6-Acetoxy-trans-pinocarveol 87.10
C00013222 [4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone 87.10
C00017770 (R)-(+)-Patulolide B
Patulolide B		 87.10
C00035258 cis-Sabinene hydrate acetate 87.10
C00036373 1,2-Epoxymenthyl acetate 87.10
C00046160 MKN-003B 87.10
C00010288 1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one 84.85
C00000229 3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid 84.38
C00012003 Shyobunon
Shyobunone		 84.38
C00012004 Epishyobunone 84.38
C00012005 (-)-Elemol
Elemol
alpha-Elemol		 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
C00031626 beta-Elemol 84.38
C00041431 Chloriolide
(+)-Chloriolide		 84.38
C00042295 Boscialin 84.38
C00042630 iso-Cladospolide B
(-)-iso-Cladospolide B		 84.38
C00043179 3,6,9-Trihydroxy-4-megastigmene 84.38
C00045783 Cladospolide B
(+)-Cladospolide B		 84.38
C00046161 MKN-003C
(+)-MKN-003C		 84.38
C00000218 (-)-Jasmonic acid
Jasmonic acid
trans-Jasmonic acid
3-Oxo-2-(2Z-pentenyl)cyclotentylacetic acid		 83.87
C00000225 9,10-Dihydrojasmonic acid 83.87
C00000234 6-epi-7-Iso-cucurbic acid 83.87
C00000446 (+)-Epijasmonic acid
7-iso-Jasmonic acid		 83.87
C00000842 (+)-Bornyl acetate
Bornyl acetate		 83.87
C00000850 Menthyl acetate 83.87
C00001305 Cucurbic acid 83.87
C00003048 Linalyl acetate
Linaloyl acetate		 83.87
C00010469 trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol 83.87
C00011014 Vulgarole 83.87
C00011971 Bicycloelemene
(-)-Bicycloelemene
3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane		 83.87
C00017282 (-)-Depudecin
Depudecin		 83.87
C00022685 6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate 83.87
C00022687 6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate 83.87
C00029325 (3S,5R,6S,9R)-Megastigman-3,9-diol 83.87
C00032377 trans-Pinocarvyl acetate 83.87
C00035724 Panaxene 83.87
C00035825 Dihydrocarveol acetate
Dihydrocarveyl acetate
Dihydrocarvyl acetate		 83.87
C00036314 (+)-Menthyl acetate 83.87
C00037490 Melazolide A
(-)-Melazolide A		 83.87
C00039638 Longiflorone
(+)-Longiflorone		 83.87
C00043180 3,9-Dihydroxy-4-megastigmene 83.87
C00044290 Putaminoxin E 83.87
C00045566 4,10-Dimethyldodecanoic acid 83.87
C00045567 4,11-Dimethyldodecanoic acid 83.87
Page Top