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


and

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




INPUT WORD = C00050236 , 50% or more
[ Metabolite Name : S-Petasitin ]
Number of matched data : 68

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00016967 Petasitin 91.84
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 89.80
C00017012 Neo-S-petasin 89.80
C00050186 Petasone A
(+)-Petasone A		 89.80
C00050185 Petasinol
(+)-Petasinol		 87.76
C00050187 Petasone B
(-)-Petasone B		 87.76
C00003169 Petasin 83.67
C00034890 Salvidorol 83.67
C00032495 Viteagnusin B
(+)-Viteagnusin B		 82.35
C00017402 S-Petasitolide A 82.00
C00016971 Eremofortin C 81.63
C00017015 S-Japonin 81.63
C00023447 Relhaniaic acid 81.63
C00045294 Dunniana acid A
(+)-Dunniana acid A		 81.63
C00046715 Debromohamigeran E
(-)-Debromohamigeran E		 81.63
C00039730 Mandarone B
(-)-Mandarone B		 80.39
C00039731 Mandarone C
(+)-Mandarone C		 80.39
C00010814 3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione 80.00
C00013052 8alpha-Isovaleryloxygazaniolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-2,3,3a,4,5,5a,9a,9b-Octahydro-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-methylbutanoic acid		 80.00
C00017403 S-Petasitolide B 80.00
C00017425 [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 80.00
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 80.00
C00035577 Diacetoxy-[4]-gingerdiol
Diacetoxy-4-gingerdiol		 80.00
C00039187 Excavatin C
(+)-Excavatin C		 80.00
C00003176 PR toxin 79.59
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 79.59
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 79.59
C00016004 CJ 12373
cis-3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid		 79.59
C00016972 Eremofortin A 79.59
C00017367 3beta-Angeloyloxyfuranoeremophilane 79.59
C00017435 6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one 79.59
C00020238 Petasipalin A 79.59
C00023345 6-Oxo-7,11E,13-labdatrien-16,15-olide 79.59
C00023445 Friedolabdaturbinic acid 79.59
C00027939 Bisdehydroneostemonine 79.59
C00033013 Hedychilactone A
(+)-Hedychilactone A		 79.59
C00046986 12-Hydroxydehydroabietic acid
(+)-12-Hydroxydehydroabietic acid		 79.59
C00049963 7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
(+)-7beta-Hydroxyabieta-8,11,13-trien-18-oic acid		 79.59
C00033486 Vitetrifolin F
(+)-Vitetrifolin F		 79.25
C00017360 [4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid 78.85
C00011977 Isoarbutifolin 78.43
C00022533 3alpha-Hydroxy-5,6-dehydrochiliolide 78.43
C00032494 Viteagnusin A
(-)-Viteagnusin A		 78.43
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 78.00
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 78.00
C00016814 Phomactin A
Sch 49028		 78.00
C00017348 [4aR-[4aalpha,5alpha,7alpha,8aalpha(Z)]]-4,5,6,7,8,9-Hexahydro-7-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-8a(4aH)-yl ester 2-methyl-2-butenoic acid 78.00
C00017358 [4S-[4alpha(Z),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 78.00
C00017359 [4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 78.00
C00017365 [4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid 78.00
C00017400 Petasitolide A 78.00
C00017401 Petasitolide B 78.00
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 78.00
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane		 78.00
C00020654 (R)-(+)-Millinol 78.00
C00022230 Phlogantholide A 78.00
C00022626 3beta-Hydroxygrindelic acid 78.00
C00023502 Strigillanoic acid A 78.00
C00023688 Allocyafrin B4 78.00
C00024381 Clivonine 78.00
C00030875 Obtuanhydride
(-)-Obtuanhydride		 78.00
C00037826 Sipaucin B
(+)-Sipaucin B		 78.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H		 78.00
C00039788 Monocillin I
(+)-Monocillin I		 78.00
C00039860 Nobilisitine A 78.00
C00040763 12,15-Dihydroxyabieta-8,11,13-trien-18-oic acid 78.00
C00040940 Dichroanal A
(+)-Dichroanal A		 78.00
C00049001 Methyl 15-hydroxydehydroabietate 78.00
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