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


and

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




INPUT WORD = C00012087 , 50% or more
[ Metabolite Name : [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 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012312 Caleurticolide acetate 96.67
C00012308 Calein C 95.00
C00049590 Neurolenin G 95.00
C00049591 Neurolenin H 93.44
C00012233 Orientalide 93.33
C00023261 9beta-Acetoxyatripliciolide-8-O-methacrylate 93.33
C00049926 1-Acetyltagitinin A 93.33
C00012310 Juanislamin 92.06
C00012306 Calein A 91.80
C00012311 Neurolenin B 91.80
C00012139 Vernopectolide A 91.67
C00012141 Woodhousin 91.67
C00012309 Calein D 91.67
C00049580 Lobatin D
(-)-Lobatin D		 91.67
C00035815 Calealactone A 90.48
C00040770 15-Acetoxyeremantholide B 90.48
C00033603 8-O-Isobutyryl-9-O-acetylanthemolide B
(-)-8-O-Isobutyryl-9-O-acetylanthemolide B		 90.32
C00035816 Calealactone B 90.32
C00011855 Acanthospermal B 90.16
C00012062 (+)-Zempoalin D
Zempoalin D		 90.16
C00012227 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 90.16
C00012303 Piptolepolide 90.16
C00012142 7-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.00
C00012319 (+)-Lychnostatin 1
Lychnostatin 1		 90.00
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 90.00
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 90.00
C00033602 8-O-Isobutyryl-9alpha-Acetoxycumambrin B 90.00
C00012313 Caleurticolide angelate 89.23
C00023263 9beta-Acetoxy-11beta,13-epoxyatripliciolide-8-O-methacrylate 88.89
C00030485 Hispidunolide A 88.89
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		 88.52
C00012305 Piptolepolide 88.52
C00012307 Calein 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
C00003260 Acetylerioflorin
Erioflorin acetate		 88.33
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 88.33
C00012088 Isocentratherin 88.33
C00012225 Isorolandrolide 88.33
C00012320 (+)-Lychnostatin 2
Lychnostatin 2		 88.33
C00012340 Scabiolide 88.33
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 88.33
C00020867 [3aS-[3aalpha,4alpha,5beta(Z),9alpha,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 88.33
C00023260 9beta-Hydroxyatripliciolide-8-O-angelate 88.33
C00045941 Ferupennin J
(+)-Ferupennin J		 88.33
C00045942 Ferupennin K
(-)-Ferupennin K		 88.33
C00012135 Vicolide C 87.50
C00003315 Liatrin 87.10
C00020859 Jamaicolide A 87.10
C00033650 Anthemolide F
(+)-Anthemolide F		 87.10
C00042052 15-Acetoxyheliangin 87.10
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