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


and

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




INPUT WORD = C00036128 , 50% or more
[ Metabolite Name : Isovaleroyloxylinalool ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011380 5,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Vernopolyanthone		 91.43
C00011508 Helepuberic acid 91.43
C00011653 alpha-Bisabolol oxide C
Bisabolol oxide C		 91.43
C00012095 11beta,13-Dihydroparthenolide
Dihydroparthenolide		 89.47
C00020928 [3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-3a,4,4a,5,6,7,7a,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one 89.47
C00021707 4-epi-Isoinuviscolide 89.47
C00011379 2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 89.19
C00012175 [3S-(3R*,3aR*,10E,11aR*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 89.19
C00012177 Gallicin 89.19
C00012178 [3R-(3R*,3aS*,10E,11aS*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 89.19
C00012181 [3aS-(3aR*,5E,7R*,10E,11aR*)]-3a,4,7,8,9,11a-Hexahydro-7-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one 89.19
C00012833 2-Hydroxyisocostic acid 89.19
C00034362 11-epi-Gallicin 89.19
C00035945 4(15)-Aromadendren-12,5alpha-olide
(+)-4(15)-Aromadendren-12,5alpha-olide		 89.19
C00039350 Hebelophyllene H
(-)-Hebelophyllene H		 89.19
C00020708 Grilactone 88.89
C00011378 2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 88.57
C00011393 (E,Z,E)-6-(Hydroxymethyl)-2,10-dimethyl-2,6,10-dodecatriene-1,12-diol 88.57
C00011396 (E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal 88.57
C00011397 8-Oxonerolidol 88.57
C00011423 12-Hydroxy-trans-nerolidol
(E,E)-2,6,10-trimethyl-2,6,11-Dodecatriene-1,10-diol		 88.57
C00011424 (Z,E)-2,6,10-trimethyl-2,6,11-Dodecatriene-1,10-diol 88.57
C00011506 Artemone 88.57
C00011520 Chokol B 88.57
C00011701 [1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-5-cyclodecene-1,4-diol 88.57
C00012378 Cauleslactone 88.57
C00012468 Zerumbone oxide 88.57
C00012487 Buddledin B 88.57
C00012723 (+)-7-Hydroxycostal 88.57
C00012724 alpha-Costic acid
Eudesma-3,11(13)-dien-12-oic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 88.57
C00012726 (+/-)-Isocostic acid
Isocostic acid
cis-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 88.57
C00012727 Costic acid
Costus acid		 88.57
C00012781 [2R-(2alpha,4aalpha,5alpha,8abeta)]-Decahydro-5-hydroxy-a,a,4a-trimethyl-8-methylene-2-naphthalenemethanol 88.57
C00023359 3beta,8beta,15-Trihydroxy-ent-labda-13E-ene 88.57
C00038751 Chlorantene G
(+)-Chlorantene G		 88.57
C00041755 Phomallenic acid A
(-)-Phomallenic acid A		 88.57
C00044885 Litseagermacrane
(+)-Litseagermacrane		 88.57
C00045532 2,13-Dimethyltetradecanoic acid 88.57
C00003345 Parthenolide 86.84
C00020419 Hypocretenolide 86.84
C00020922 10alpha,14H-1-epi-Inuviscolide 86.84
C00020924 Dihydropseudoivalin 86.84
C00020927 (-)-Helenium lactone 86.84
C00020934 1-EpiInuviscolide 86.84
C00020935 Inuviscolide 86.84
C00020937 8-Epiinuviscolide 86.84
C00020938 4,8-Dipiinuviscolide 86.84
C00021732 Cedrolic acid 86.84
C00029526 CID is old! 86.84
C00033918 Homalomenol C
(-)-Homalomenol C		 86.84
C00049635 Epidihydropseudoivalin
(-)-Epidihydropseudoivalin		 86.84
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