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


and

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




INPUT WORD = C00012143 , 50% or more
[ Metabolite Name : 2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003342 Orizabin 98.15
C00003398 Zexbrevin B 98.15
C00012140 Tagitinin B 98.15
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 96.30
C00012154 Tagitinin A 96.30
C00012300 Resinosolide 96.30
C00023259 9beta-Hydroxyatripliciolide-8-O-methacrylate 96.30
C00036422 17,18-Dehydroviguiepinin
(-)-17,18-Dehydroviguiepinin		 96.30
C00012155 Viguilenin 94.64
C00029417 1beta-Methoxydiversifolin 94.64
C00012301 [3aR-[3aR*,4R*(Z),6S*,9R*,10E,11aR*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
3alpha-Hydroxytrichomoriolide		 94.55
C00012418 Trichogoniolide 94.55
C00011856 Tagitinin C 94.44
C00011866 Tagitinin E 94.44
C00011882 1,2-Dehydrozexbrevin 94.44
C00012094 Budlein A isobutyrate
Viguiepinin		 94.44
C00012116 (-)-Lychnopholide
Lychnopholide		 94.44
C00012118 NSC 375092 94.44
C00012404 Eremantholide C 94.44
C00033537 1beta,2alpha-Epoxytagitinin C 94.44
C00003226 Budlein A 92.86
C00003338 Niveusin C 92.86
C00012145 Tithonin 92.86
C00003293 Goyazensolide 92.73
C00012304 [3aR-[3aR*,4R*(Z),6S*,9S*,10Z,11aR*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid 92.73
C00012403 Eremantholide B 92.73
C00000235 Heliangine 92.59
C00003370 Tagitinin F 92.59
C00011846 Trichomoriolide 92.59
C00011865 Erioflorin 92.59
C00011867 (Z,Z)-Heliangin
Leptocarpin		 92.59
C00011887 Tagitinin D
Tirotundin		 92.59
C00012086 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 92.59
C00012115 Ciliarin 92.59
C00012244 Jamaicolide C
(2Z)-(3aR,4R,7R,9S,10Z,11aR)-2,3,3a,4,5,6,7,8,9,11a-Decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid		 92.59
C00012245 Calbertolide C
(2E)-(3aR,4R,7R,9S,10Z,11aR)-2,3,3a,4,5,6,7,8,9,11a-Decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid		 92.59
C00042125 3-epi-Heliangin
(-)-3-epi-Heliangin		 92.59
C00012134 Niveusin A 91.38
C00037555 Niveusin A 2-methylbutyrate 91.38
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 91.23
C00011888 [3aS-(3aR*,4S*,6R*,9S*,10R*,11aS*)]-9-Ethoxydodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-propanoic acid 91.07
C00012090 Lobatin B 91.07
C00012136 Tifruticin 91.07
C00012147 Niveusin B 91.07
C00023260 9beta-Hydroxyatripliciolide-8-O-angelate 91.07
C00039366 Helivypolide E 91.07
C00003390 Vernomygdin 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
C00000168 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide 90.74
C00003246 Deoxyelephantopin 90.74
C00003257 Eremantholide A 90.74
C00011785 Ursiniolide C 90.74
C00011989 [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 90.74
C00012113 Zexbrevin 90.74
C00012119 15-Deoxybudlein A
Atripliciolide angelate		 90.74
C00012299 Arcotiopicrin
Orientin (sesquiterpene)		 90.74
C00012986 Trichomatolide D
(3aR,4R,5aR,6R,9aS,9bR)-[partial]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 90.74
C00013087 Trichomatolide C
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9bbeta]]- 2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6,8-dihydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.74
C00034299 Tagitinin C methylbutyrate 90.74
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 90.74
C00049579 Desacetyl-neurolenin G
(-)-Desacetyl-neurolenin G		 90.74
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