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


and

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




INPUT WORD = C00012696 , 50% or more
[ Metabolite Name : 3-O-Angeloylcuauhtemone , Cuauhtemone-3-angelicate , [1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012906 [4aR-[4aalpha,5alpha,6alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 92.00
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 91.84
C00023364 Villenatriolone 91.84
C00020893 Carolenin 90.38
C00020959 3-O-TigloylCarolenalin 90.38
C00017354 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 90.00
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 89.80
C00021406 Lapidin 89.80
C00012874 Pulchellin F
[3aR-[3aalpha,4aalpha,6beta,7alpha(Z),8abeta,9aalpha]]-Dodecahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid		 88.46
C00039416 Inflexarabdonin I 88.24
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate		 88.00
C00011662 Hydroxyperezone monoangelate 88.00
C00012905 [4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester3-methylbutanoic acid 88.00
C00017346 Furanopetasine 88.00
C00017400 Petasitolide A 88.00
C00017401 Petasitolide B 88.00
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane		 88.00
C00017418 [4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 88.00
C00022361 8alpha,12R-Epoxy-13E-labden-1beta,6beta,11alpha-triol 88.00
C00022362 8alpha,12R-Epoxy-6beta,11alpha-dihydroxy-13E-labden-1-one 88.00
C00011416 3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid 87.76
C00011418 1-(3,3-Dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester 2-methyl-2-butenoic acid 87.76
C00012081 Ligularinone B 87.76
C00012174 Hallerin 87.76
C00017364 Furanojaponin 87.76
C00020253 2alpha-Angeloxyanhydrooplopanone 87.76
C00021382 Linkiol 87.76
C00021410 Vaginatin
Crispanone		 87.76
C00021686 Salonitenolide 8-O-angelate 87.76
C00022241 (8alpha,13E)-8,15-Dihydroxy-13-labden-19-al 87.76
C00022405 (ent)-6-beta-Hydroxycopalic acid 87.76
C00022417 2alpha-Hydroxy-12Z-ozic acid 87.76
C00022418 2-Oxo-12Z-ozic acid 87.76
C00022522 Dehydropinifolic acid
8(17),13-labdadien-15,18-dioic acid		 87.76
C00022526 Guamaiac acid
ent-8(17),13-labdadien-15,18-dioic acid		 87.76
C00022736 Sterebin E 87.76
C00022737 Sterebin F 87.76
C00023278 3alpha-Acetoxybiformene 87.76
C00023356 11,16-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13Z-diene 87.76
C00034695 Steviol
(-)-Steviol		 87.76
C00041322 Agathic acid 87.76
C00045080 Sterebin I 87.76
C00045081 Sterebin J
(+)-Sterebin J		 87.76
C00050185 Petasinol
(+)-Petasinol		 87.76
C00050187 Petasone B
(-)-Petasone B		 87.76
C00050213 Sandensolide 87.76
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		 87.04
C00013026 Badkhysidin
[3R-[3alpha,3abeta,5aalpha,6beta(Z),6abeta,7abeta,8abeta,8balpha]]-Dodecahydro-3,5a-dimethyl-8-methylene-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 86.79
C00020898 Hymenoratin F 86.79
C00020899 2-O-Tigloylhymenoratin E 86.79
C00020900 Hymenoratin E 86.79
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