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


and

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




INPUT WORD = C00013186 , 50% or more
[ Metabolite Name : (-)-Malkangunin , Malkangunin , Malkanguniol 4-acetate 5-benzoate , [3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00045041 Reissantin D 91.04
C00040565 Triptogelin G-2 89.23
C00013200 Mortonin B
(5alpha,5aalpha,6alpha,7beta,9beta,9aalpha)-7-(Acetyloxy)-6-(benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 86.57
C00012794 Ivanuol
[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate		 86.15
C00020561 Malaphylinin
Diversolide D
(-)-Diversolide D		 86.15
C00013098 Vernodesmin
[3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid		 85.29
C00012066 Ligularinone A 84.85
C00012371 Incaspitolide E 84.85
C00041136 Taxacustone 84.85
C00012291 Melcanthin G 84.62
C00012401 Incaspitolide A 84.62
C00012768 Rupestrol cinnamate 84.62
C00016080 (+)-Hongoquercin B
Hongoquercin B		 84.62
C00021463 Melleolide B 84.62
C00021472 Arnamiol 84.62
C00021765 Dunnianin 84.62
C00029419 1-Deacetoxy-1-oxocaesalmin C 84.62
C00038978 Dendronpholide L
(-)-Dendronpholide L		 84.62
C00042497 Epoxycladine D
(-)-Epoxycladine D		 84.62
C00043228 9-Deacetyltaxinine
(+)-9-Deacetyltaxinine		 84.62
C00044585 Briarellin O
(-)-Briarellin O		 84.62
C00045841 Dictamnoside A
(-)-Dictamnoside A		 84.62
C00045842 Dictamnoside B
(-)-Dictamnoside B		 84.62
C00013170 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 83.56
C00045042 Reissantin E 83.56
C00012064 [1R-[1R*,4R*,6S*(Z),9R*,10R*(Z),11R*]]-[9-(1-Hydroxy-1-methylethyl)-1-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-5,12-dioxatricyclo[9.1.0.04,6]dodec-6-yl]methyl ester 2-methyl-2-butenoic acid 83.33
C00012795 [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate 83.33
C00016122 (-)-Apicularen A
Apicularen A
Apicularene A		 83.33
C00030524 iso-Dulcinol 83.33
C00042557 Glaucolide K
(-)-Glaucolide K		 83.33
C00012075 Cinnamoylepoxyechinadiol 83.08
C00012281 Repandin E 83.08
C00012826 [1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid 83.08
C00021464 Melledonal 83.08
C00021748 Proustianol angelicate 83.08
C00022672 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester 83.08
C00023342 Nepetefolin 83.08
C00024034 Scoparic Acid B 83.08
C00024035 Scoparic Acid C 83.08
C00024474 10-Demethoxykopsidasinine 83.08
C00030160 Dulcinol
Scopadulciol		 83.08
C00040184 Salicylihalamide A 83.08
C00040185 Salicylihalamide B
(-)-Salicylihalamide B		 83.08
C00041086 Pierisformosin B 83.08
C00041390 Briarellin Q 83.08
C00042788 Norcaesalpinin A
(-)-Norcaesalpinin A		 83.08
C00042789 Norcaesalpinin B
(+)-Norcaesalpinin B		 83.08
C00044579 Briarellin D 83.08
C00045843 Dictamnoside D
(-)-Dictamnoside D		 83.08
C00045846 Dictamnoside I
(-)-Dictamnoside I		 83.08
C00045847 Dictamnoside J 83.08
C00045848 Dictamnoside K
(-)-Dictamnoside K		 83.08
C00050323 7-Deoxy-7-oxodunnianin
(-)-7-Deoxy-7-oxodunnianin		 83.08
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