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


and

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




INPUT WORD = C00012228 , 50% or more
[ Metabolite Name : 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011840 Douglasin 96.36
C00012267 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 96.36
C00011859 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 94.55
C00012270 Jurineolide 94.55
C00012276 Linearilobin F 94.55
C00012277 Linearilobin G 94.55
C00003232 (+)-Cnicin
Cnicin		 92.73
C00011785 Ursiniolide C 92.73
C00011808 2,3,3a,4,5,8,9,11a-Octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-butanoic acid 92.73
C00011851 Acanthospermolide 92.73
C00011860 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 92.73
C00012213 Germanin A 92.73
C00012256 Montafrusin
Montafrusin A		 92.73
C00012265 Gigantanolide C 92.73
C00012266 Pectorolide 92.73
C00011861 (3aR,4R,6E,10E,11aR)-10-[(Acetyloxy)methyl]-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 91.53
C00011763 Melnerin B 91.23
C00012271 Linearilobin A 91.23
C00021916 Disyhamifolide 91.23
C00003226 Budlein A 91.07
C00012090 Lobatin B 91.07
C00012145 Tithonin 91.07
C00023260 9beta-Hydroxyatripliciolide-8-O-angelate 91.07
C00043494 Eupachinilide A
(-)-Eupachinilide A		 91.07
C00000168 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide 90.91
C00003390 Vernomygdin 90.91
C00011762 Melnerin A 90.91
C00011782 Mollisorin B 90.91
C00011847 Eupachifolin A 90.91
C00011850 9-Hydroxyglabratolide 90.91
C00011997 Disynaphiolide 90.91
C00012089 [3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]- 2,3,3a,4,5,6,7,11a-Octahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.91
C00012118 NSC 375092 90.91
C00012208 Grazielia acid 90.91
C00012257 (+)-Montafrusin B
Montafrusin B		 90.91
C00012258 Zoapatanolide A 90.91
C00012259 Zoapatanolide B 90.91
C00012263 Gigantanolide A 90.91
C00012264 Gigantanolide B 90.91
C00012299 Arcotiopicrin
Orientin (sesquiterpene)		 90.91
C00012316 [3aS-[3aR*,4R*(Z),5R*,6R*,10E,11aS*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid 90.91
C00012418 Trichogoniolide 90.91
C00012419 Pycnolide 90.91
C00032955 Eupaglehnin D
(+)-Eupaglehnin D		 90.91
C00003301 Hydroxyvernolide 89.47
C00011746 Orthopappolide methacrylate 89.47
C00011750 Liscundin 89.47
C00012240 [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-2-Methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-5,6,9-trihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-butenoic acid 89.47
C00012274 Linearilobin D 89.47
C00003271 Eupahyssopin 89.29
C00012147 Niveusin B 89.29
C00012152 Argophyllin B 89.29
C00012155 Viguilenin 89.29
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