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


and

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




INPUT WORD = C00012227 , 50% or more
[ Metabolite Name : 5-(Acetyloxy)-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 ]
Number of matched data : 71

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011790 Hiyodorilactone E
Santhemoidin C		 93.44
C00011855 Acanthospermal B 93.44
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 93.44
C00012297 [3aS-(3aR*,4R*,5R*,6E,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin A		 92.06
C00030485 Hispidunolide A 92.06
C00011854 Acanthoglabrolide 91.80
C00036566 4'-Acetylcnicin 91.80
C00043501 Eupachinilide J
(+)-Eupachinilide J		 91.80
C00049591 Neurolenin H 91.80
C00011830 Polymatin A 90.48
C00011831 Polymatin B 90.48
C00012289 Melcanthin E 90.48
C00003231 Chromolaenide 90.16
C00003274 Eupaserrin 90.16
C00003275 Eupatocunin 90.16
C00003382 Ursiniolide A 90.16
C00011771 (-)-Ursanthemolide
Ursanthemolide		 90.16
C00011788 Hiyodorilactone D 90.16
C00011807 8-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 90.16
C00012087 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.16
C00012141 Woodhousin 90.16
C00012193 3-Desacetoxyursiniolide B 90.16
C00012224 Eurecurvin 90.16
C00012233 Orientalide 90.16
C00012273 Linearilobin C 90.16
C00012302 [3aR-[3aR*,4R*(Z),6S*,9R*,10E,11aR*]]-9-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
3alpha-Acetoxytrichomoriolide		 90.16
C00012303 Piptolepolide 90.16
C00012306 Calein A 90.16
C00012312 Caleurticolide acetate 90.16
C00020865 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 90.16
C00012292 Longicornin B 89.55
C00011832 Uvedalin 89.39
C00012207 Melampolidin 89.23
C00012290 Melcanthin F 89.23
C00012298 [3aS-[3aR*,4R*(S*),5R*,6E,10R*,11aS*]]-5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin B		 89.23
C00003322 Melampodin A 88.89
C00011853 Acanthospermal A 88.89
C00012288 Melcanthin D 88.89
C00012310 Juanislamin 88.89
C00020564 Skutchiolide B 88.89
C00000167 Eupalinin B 88.71
C00003276 Eupatocunoxin 88.71
C00011862 Eupalinin C 88.71
C00011863 Eupalinin D 88.71
C00012138 Rotundin 88.71
C00033650 Anthemolide F
(+)-Anthemolide F		 88.71
C00045939 Ferupennin H
(+)-Ferupennin H		 88.71
C00045940 Ferupennin I
(+)-Ferupennin I		 88.71
C00046767 Hispidunolide B
(-)-Hispidunolide B		 88.71
C00000169 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide 88.52
C00003270 Eupaformosanin 88.52
C00003299 Schkuhrin I
Eucannabinolid
Eucannabinolide
Hiyodorilactone A		 88.52
C00011792 Hiyodorilactone B 88.52
C00012192 [3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid 88.52
C00012225 Isorolandrolide 88.52
C00012228 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 88.52
C00012305 Piptolepolide 88.52
C00012308 Calein C 88.52
C00012311 Neurolenin B 88.52
C00012315 [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 88.52
C00020862 [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 88.52
C00020864 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 88.52
C00020868 [3aS-[3aalpha,4alpha,5beta(Z),9beta,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 88.52
C00023261 9beta-Acetoxyatripliciolide-8-O-methacrylate 88.52
C00030229 Eupasimplicin A 88.52
C00032953 Eupaglehnin B 88.52
C00041979 Zinagrandinolide B 88.52
C00043500 Eupachinilide I
(+)-Eupachinilide I		 88.52
C00045941 Ferupennin J
(+)-Ferupennin J		 88.52
C00049590 Neurolenin G 88.52
C00049926 1-Acetyltagitinin A 88.52
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