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


and

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




INPUT WORD = C00017442 , 50% or more
[ Metabolite Name : [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid ]
Number of matched data : 85

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017441 [4S-[4alpha,4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 96.55
C00049155 Eremopetasitenin D1
(+)-Eremopetasitenin D1		 96.43
C00049152 Eremopetasitenin C1
(-)-Eremopetasitenin C1		 94.64
C00017351 6beta-Acetoxyfuranoeremophilan-3alpha-yl angelate 91.07
C00017378 [1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 89.83
C00017340 [4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 89.29
C00017342 [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid 89.29
C00017352 [4S-[4alpha,4aalpha,5alpha,6alpha(Z),8aalpha]]-4-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 89.29
C00021151 Pulchelloid A 89.29
C00049151 Eremopetasitenin A1
(-)-Eremopetasitenin A1		 89.29
C00048254 15-Methoxyvelutine C
(+)-15-Methoxyvelutine C		 88.14
C00017380 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 5-(Acetyloxy)-1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 87.72
C00021916 Disyhamifolide 87.72
C00042354 Caucanolide C
(-)-Caucanolide C		 87.72
C00045830 Decipienolide A 87.72
C00045831 Decipienolide B 87.72
C00000168 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide 87.50
C00000235 Heliangine 87.50
C00011867 (Z,Z)-Heliangin
Leptocarpin		 87.50
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 87.50
C00011992 Zinaflorin V 87.50
C00011993 Zinaflorin II 87.50
C00012136 Tifruticin 87.50
C00012152 Argophyllin B 87.50
C00012155 Viguilenin 87.50
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		 87.50
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		 87.50
C00012268 (+)-Jurinelloide
Jurinelloide		 87.50
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		 87.50
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		 87.50
C00017343 [4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid 87.50
C00017377 ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 87.50
C00017388 1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 87.50
C00017400 Petasitolide A 87.50
C00017401 Petasitolide B 87.50
C00021033 1alphaH,7alphaH,8alphaH,10betaH-2alpha-Tigloyloxy-4beta,11alpha,13-trihydroxy-pseudoguaian-8,12-olide 87.50
C00021170 Pulchelloid C 87.50
C00031513 15-Methoxypinusolidic acid
(+)-15-Methoxypinusolidic acid		 87.50
C00042505 Eupakirunsin C
(-)-Eupakirunsin C		 87.50
C00021353 Bakkenolide B
Fukinolide		 86.21
C00021354 Bakkenolide E 86.21
C00021356 Dihydrofukinolide 86.21
C00049154 Eremopetasitenin C3
(-)-Eremopetasitenin C3		 86.21
C00003281 Eupatundin 85.96
C00011749 Cordifolia P2 85.96
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 85.96
C00048156 Sucutinirane A
(-)-Sucutinirane A		 85.96
C00048343 Caesalpinolide E
(-)-Caesalpinolide E		 85.96
C00003335 Multigilin 85.71
C00003338 Niveusin C 85.71
C00011985 [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]- 6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid 85.71
C00011990 [3aS-[3aalpha,4beta(Z),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-butenoic acid 85.71
C00012088 Isocentratherin 85.71
C00012116 (-)-Lychnopholide
Lychnopholide		 85.71
C00012147 Niveusin B 85.71
C00012153 (-)-Argophyllone B
Argophyllone B		 85.71
C00012270 Jurineolide 85.71
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 85.71
C00012341 Ineupatorolide A 85.71
C00012342 Ineupatorolide B
Nepalolide C		 85.71
C00012403 Eremantholide B 85.71
C00012867 beta-Cyclotanacin
Chrysanin
Taxillin
[3aR-[3aalpha,4alpha(Z),4aalpha,8beta,8abeta,9abeta]]-Dodecahydro-8-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 85.71
C00012956 Tanapsin
[3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 85.71
C00013025 Badkhysinin
[3aS-[3aalpha,5abeta,6alpha(Z),6abeta,7abeta,8aalpha,8bbeta]]-Dodecahydro-5a-methyl-3,8-bis(methylene)-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 85.71
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		 85.71
C00017309 [4S-[4alpha(E),4aalpha,5alpha,8beta,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 85.71
C00017311 [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 85.71
C00017393 Senemorin 85.71
C00020462 Solidaginoide B 85.71
C00020590 Bacchariolide B 85.71
C00020957 3-O-Angeloylcarolenalone 85.71
C00020958 3-O-Tigloylcarolenalone 85.71
C00020962 4-O-Tigloyl-11,13-dihydroautumnolide 85.71
C00021061 Fastigilin A 85.71
C00021150 Pulckelloid B 85.71
C00022429 Rupestralic acid 85.71
C00022671 3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 85.71
C00023181 Eupalinilide E 85.71
C00023507 15,16-Dihydro-15-methoxy-16-oxohardwickiic acid 85.71
C00035425 Velutine C 85.71
C00036423 1alpha,4alpha,10alpha-Trihydroxy-9alpha-angeloyloxyguaia-2,11(13)-dien-12,6alpha-olide 85.71
C00042352 Caucanolide A
(-)-Caucanolide A		 85.71
C00043494 Eupachinilide A
(-)-Eupachinilide A		 85.71
C00046593 Labda-8(17),11,13-trien-15(16)-olide
(+)-Labda-8(17),11,13-trien-15(16)-olide		 85.71
C00046796 CID is old! 85.71
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