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


and

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




INPUT WORD = C00017345 , 50% or more
[ Metabolite Name : [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017341 [4aS-[4aalpha,5alpha,6alpha(Z),7alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid 98.39
C00017344 [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid 96.77
C00017355 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 96.77
C00017356 [4aS-[4aalpha,5alpha(Z),6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-acetic acid 1-methyl-1-propenyl ester 95.16
C00017363 (-)-Kablicin
Kablicin
Kablicine		 92.19
C00017307 [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 90.91
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 90.32
C00017353 (S)-Furanopetasitin 90.32
C00021357 Homofukinolide 89.06
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 88.71
C00017351 6beta-Acetoxyfuranoeremophilan-3alpha-yl angelate 88.71
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 88.71
C00022653 CID is old! 87.50
C00017315 [4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4,6-diyl ester 2-methyl-2-propenoic acid 87.10
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 87.10
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 87.10
C00021326 Triflorestevione 85.94
C00021327 Rastevione 85.94
C00022399 Angeloylespinosanolide 85.94
C00023361 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide 85.94
C00022734 (ent-2alpha,3beta,13Z)-3-Angeloyloxy-8(17),13-labdadiene-2,15,16,18-tetrol 85.71
C00037752 Rouyolide B
(+)-Rouyolide B		 85.71
C00021396 Pallinin 85.48
C00022582 6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid 85.48
C00022647 Gutierrezianolic acid 2-methylbutyrate 85.48
C00022778 17-Succinoyloxy-ent-cleroda-3,13(16),14-trien-15,16-oxide 85.48
C00023414 3alpha-Angeloyloxy-4-epi-daniellol 85.48
C00042345 Caseargrewiin D
(-)-Caseargrewiin D		 85.48
C00017444 (4alpha,4aalpha,5alpha,7alpha,8beta,8abeta)-(-)-7-Hydroxy-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-4-(2-methyl-1-oxopropoxy)-9-oxonaphtho[2,3-b]furan-8-yl ester 3-methyl-2-butenoic acid 84.38
C00022398 Espinosanolide 2-methylbutyrate 84.38
C00015645 (+)-Dictyopanine B
Dictyopanin B
Dictyopanine B		 84.13
C00022672 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 84.13
C00032604 14R*,15-Epoxyvibsanin C
(+)-(14R,15)-Epoxyvibsanin		 84.13
C00036415 14-Deoxy-epsilon-caesalpin
(+)-14-Deoxy-epsilon-caesalpin		 84.13
C00011986 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 83.87
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 83.87
C00020879 8-Acetylpumilin
8-O-Acetyl pumilin		 83.87
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 83.87
C00022393 Dubiin 83.87
C00022649 Gutierrezianolic acid propionate methyl ester 83.87
C00022673 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroxycostic acid methyl ester 83.87
C00022747 6alpha-Angeloyloxynidorellol 83.87
C00023200 3alpha-Angeloyloxy-ent-labda-7,13E-dien-2beta,15-diol 83.87
C00023412 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide 83.87
C00031436 Vibsanin B 83.87
C00033480 Vibsanin H
(+)-Vibsanin H		 83.87
C00043997 Vibsanin G
(+)-Vibsanin G		 83.87
C00021152 Pulchelloid D 83.82
C00003294 Gradolide 83.33
C00012066 Ligularinone A 83.33
C00020559 Talassin A 83.33
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