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


and

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




INPUT WORD = C00000313 , 50% or more
[ Metabolite Name : Xanthinin ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003395 Xanthumin 97.78
C00020336 Xanthanol
Xanthumanol
2-Acetylivalbin		 97.78
C00020337 Isoxanthanol
4-Acetylivalbin		 97.78
C00020343 Inuchinenolide A 97.78
C00020896 Maxicanin G 93.62
C00020882 Inuchinenolide B 93.48
C00020887 Neogaillardin
Pleniradin acetate		 93.48
C00020930 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide 93.48
C00021069 6-Deoxychamissonolide 93.48
C00021071 Stevin 93.48
C00012333 Chrysanolide
Tamirin acetate		 93.33
C00012390 Calbertolide A 93.33
C00013043 [3aS-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
2alpha-Acetoxysphaerantholide		 93.33
C00021044 Apachin 93.33
C00003217 Arnicolide A 91.30
C00003288 Gaillardin 91.30
C00012199 Herbolide B 91.30
C00012961 Montathanolide
[3aS-(3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 91.30
C00012993 [3aR-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one 91.30
C00012997 Nitrosin
[3R-(3alpha,3abeta,5aalpha,6alpha,9abeta,9balpha)]-6-(Acetyloxy)decahydro-9a-hydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one		 91.30
C00013002 Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 91.30
C00013074 8alpha-Acetoxytaurin
(3S,3aS,5aR,8R,9bS)-8-(Acetyloxy)-3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 91.30
C00020472 Michefuscalide
beta-Cyclolipiferolide		 91.30
C00021095 15-Acetoxyrudmollin 91.30
C00035781 15-O-Acetylamphoricarpolide 91.30
C00011755 Herbolide D 91.11
C00011783 Chihuahuin 91.11
C00011826 [3aS-(3aR*,6Z,10Z,11aS*)]-10-[(Acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylenecyclodeca[b]furan-2(3H)-one 91.11
C00012221 Argentiolide B 91.11
C00012922 Acetoxydiplophyllin
[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 91.11
C00013048 [3aS-(3aalpha,5beta,5abeta,9balpha)]-5-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
9beta-Acetoxytournefortiolide		 91.11
C00013057 beta-Cyclotulipinolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 91.11
C00020916 3beta-Acetoxy-1(5),11(13)-guaiadien-12,8alpha-olide 91.11
C00021018 3beta-Acetoxy-desoxo-achalensolide 91.11
C00021695 Acetylivalin 91.11
C00022640 2alpha-Acetoxyeupatolide 91.11
C00012391 Calbertolide B 89.58
C00012883 [3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one 89.58
C00021175 Picrohelenin 89.58
C00003392 Viscidulin B 89.36
C00020620 8alpha-Acetoxy-1beta,10beta-epoxy-3,11(13)-guaiadien-12,6alpha-olide 89.36
C00020625 2beta-Acetoxy-3alpha,4alpha-epoxy-3,4-dihydrokauniolide 89.36
C00020895 Calocephalin acetate 89.36
C00003211 Angustibalin 89.13
C00003318 Linifolin A 89.13
C00003357 Pyrethrosin 89.13
C00012108 9alpha-Acetoxyparthenolide 89.13
C00012200 Herbolide C 89.13
C00012864 [3aR-(3aalpha,7alpha,8beta,8abeta,9abeta)]-7-(acetyloxy)-3a,4,6,7,8,8a,9,9a-octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
2alpha-Acetoxy-8-epiivangustin		 89.13
C00012869 Dihydro-beta-cyclopyrethrosin
[3R-(3alpha,3aalpha,4alpha,4aalpha,8beta,8abeta,9abeta)]-4-(Acetyloxy)decahydro-8-hydroxy-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan-2(3H)-one		 89.13
C00012872 Pulchellin B
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-7-(Acetyloxy)decahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 89.13
C00012982 beta-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one		 89.13
C00012990 [3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one 89.13
C00020515 Kandavanolide
8beta-Hydroxyzaluzanin D		 89.13
C00020522 Athamontanolide 89.13
C00021075 Cumanin 3-acetate 89.13
C00021079 6alpha-Acetoxy-4beta-hydroxy-11(13)-pseudoguaien-12,8alpha-olide 89.13
C00021090 Ergolide
Dihydrobigelovin		 89.13
C00021091 Hysterin 89.13
C00046477 Tubipolide C
(-)-Tubipolide C		 89.13
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