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


and

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




INPUT WORD = C00012119 , 50% or more
[ Metabolite Name : 15-Deoxybudlein A , Atripliciolide angelate ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012118 NSC 375092 96.30
C00023260 9beta-Hydroxyatripliciolide-8-O-angelate 94.64
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 94.55
C00000168 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide 94.44
C00000235 Heliangine 94.44
C00011846 Trichomoriolide 94.44
C00011867 (Z,Z)-Heliangin
Leptocarpin		 94.44
C00012114 Ladibranolide 94.44
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		 94.44
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		 94.44
C00042125 3-epi-Heliangin
(-)-3-epi-Heliangin		 94.44
C00012088 Isocentratherin 92.86
C00012270 Jurineolide 92.73
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		 92.73
C00011844 Calein F
Caleine F		 92.59
C00012116 (-)-Lychnopholide
Lychnopholide		 92.59
C00012419 Pycnolide 92.59
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		 92.59
C00042502 Eupaheliangolide A
(-)-Eupaheliangolide A		 92.59
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 92.59
C00003338 Niveusin C 91.07
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
C00012403 Eremantholide B 90.91
C00011882 1,2-Dehydrozexbrevin 90.74
C00011984 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]- 6-Ethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 90.74
C00011992 Zinaflorin V 90.74
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 90.74
C00012094 Budlein A isobutyrate
Viguiepinin		 90.74
C00012115 Ciliarin 90.74
C00012143 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 90.74
C00012260 Deoxytifruticin 90.74
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 90.74
C00012268 (+)-Jurinelloide
Jurinelloide		 90.74
C00013086 Trichomatolide B
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9aalpha,9bbeta]]-Dodecahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.74
C00020575 Eupassessifolide B 90.74
C00034299 Tagitinin C methylbutyrate 90.74
C00039365 Helivypolide D 90.74
C00042504 Eupakirunsin B
(-)-Eupakirunsin B		 90.74
C00012134 Niveusin A 89.66
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
C00003226 Budlein A 89.29
C00011993 Zinaflorin II 89.29
C00012090 Lobatin B 89.29
C00012093 Lychnophorolide B 89.29
C00012136 Tifruticin 89.29
C00012145 Tithonin 89.29
C00012147 Niveusin B 89.29
C00012152 Argophyllin B 89.29
C00012155 Viguilenin 89.29
C00039366 Helivypolide E 89.29
C00042505 Eupakirunsin C
(-)-Eupakirunsin C		 89.29
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