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


and

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




INPUT WORD = C00022672 , 50% or more
[ Metabolite Name : 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester ]
Number of matched data : 83

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022673 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroxycostic acid methyl ester 96.83
C00022663 8beta-Acetoxy-3beta-angeloyloxy-isocostic acid methyl ester 92.06
C00020566 3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 90.48
C00020567 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 90.48
C00003273 Euparotin acetate 88.89
C00012400 Jamaicolide D 88.89
C00039415 Inflexarabdonin A
(-)-Inflexarabdonin A		 87.69
C00003264 Eupachlorin acetate 87.50
C00020439 Eupachifolin D 87.50
C00023361 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide 87.50
C00041190 Taxuspine G
(+)-Taxuspine G		 87.50
C00002084 Doronine 87.30
C00011872 Cordifolia 55 87.30
C00011973 Isolaserolide 87.30
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 87.30
C00011987 [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]-4-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid 87.30
C00012307 Calein B 87.30
C00012401 Incaspitolide A 87.30
C00012951 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 87.30
C00012952 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-8-(acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-6-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 87.30
C00020501 Eupachifolin B 87.30
C00020507 Crepiside E 87.30
C00020568 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 87.30
C00020697 Zoapatanolide D 87.30
C00020879 8-Acetylpumilin
8-O-Acetyl pumilin		 87.30
C00021005 Macrocliniside H 87.30
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 87.30
C00022671 3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 87.30
C00034539 Hierapolitanin D
(-)-Hierapolitanin D		 87.30
C00038973 Dendronpholide G
(+)-Dendronpholide G
Sinulaflexiolide E
(+)-Sinulaflexiolide E		 87.30
C00038979 Dendronpholide M
(-)-Dendronpholide M		 87.30
C00038981 Dendronpholide O
(-)-Dendronpholide O		 87.30
C00044584 Briarellin N
(-)-Briarellin N		 87.30
C00012066 Ligularinone A 86.36
C00012287 Melcanthin A 86.15
C00012291 Melcanthin G 86.15
C00021748 Proustianol angelicate 86.15
C00040907 Calcicolin C
(-)-Calcicolin C		 86.15
C00020844 Linichlorin C 85.94
C00021357 Homofukinolide 85.94
C00039297 Granosolide B
(-)-Granosolide B		 85.94
C00043228 9-Deacetyltaxinine
(+)-9-Deacetyltaxinine		 85.94
C00049279 CID is old! 85.94
C00003261 Erioflorin methacrylate 85.71
C00003270 Eupaformosanin 85.71
C00011771 (-)-Ursanthemolide
Ursanthemolide		 85.71
C00011830 Polymatin A 85.71
C00011831 Polymatin B 85.71
C00012241 [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-5-(Acetyloxy)-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-methylbutenoic acid 85.71
C00012273 Linearilobin C 85.71
C00012289 Melcanthin E 85.71
C00012305 Piptolepolide 85.71
C00013009 Isosilerolide
[3S-[3alpha(Z),3aalpha,5aalpha,6beta,9abeta,9balpha]]-6-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid		 85.71
C00013014 (-)-Sonchuside H
Sonchuside H
[3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-6-(beta-D-Glucopyranosyloxy)decahydro-9-(hydroxymethyl)-3,5a-dimethylnaphtho[1,2-b]furan-2(3H)-one		 85.71
C00013015 (-)-Sonchuside I
Sonchuside I
[3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-9-[(beta-D-Glucopyranosyloxy)methyl]decahydro-6-hydroxy-3,5a-dimethylnaphtho[1,2-b]furan-2(3H)-one		 85.71
C00013017 (-)-Sonchuside E
Sonchuside E
[3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-6-(beta-D-Glucopyranosyloxy)dodecahydro-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-carboxaldehyde		 85.71
C00013018 (-)-Sonchuside G
Sonchuside G
[3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-6-(beta-D-Glucopyranosyloxy)dodecahydro-3,5a-dimethyl-2-oxonaphtho[1,2-b]furan-9-carboxaldehyde		 85.71
C00020446 Crepiside C 85.71
C00020470 Ixerisoside C 85.71
C00020502 Eupahakonesin 85.71
C00020526 9beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 85.71
C00020537 Macrocliniside F 85.71
C00020961 Carolenalin 4-O-beta-D-glucoside 85.71
C00021354 Bakkenolide E 85.71
C00022734 (ent-2alpha,3beta,13Z)-3-Angeloyloxy-8(17),13-labdadiene-2,15,16,18-tetrol 85.71
C00023342 Nepetefolin 85.71
C00023411 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid 85.71
C00029222 Vilmorrianone
(-)-Vilmorrianone		 85.71
C00029837 Bonducellpin C 85.71
C00029870 Caesalpinin C 85.71
C00029950 Cichorioside C 85.71
C00030504 Hypochoeroside A
(+)-Hypochoeroside A		 85.71
C00034348 Youngiajaponicoside D
(-)-Youngiajaponicoside D		 85.71
C00035815 Calealactone A 85.71
C00037304 Integrifoside C 85.71
C00038975 Dendronpholide I
(-)-Dendronpholide I		 85.71
C00038977 Dendronpholide K
(-)-Dendronpholide K		 85.71
C00038982 Dendronpholide P
(-)-Dendronpholide P		 85.71
C00040310 Sinulaflexiolide C
(+)-Sinulaflexiolide C		 85.71
C00041979 Zinagrandinolide B 85.71
C00042789 Norcaesalpinin B
(+)-Norcaesalpinin B		 85.71
C00044579 Briarellin D 85.71
C00046767 Hispidunolide B
(-)-Hispidunolide B		 85.71
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