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


and

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




INPUT WORD = C00017010 , 50% or more
[ Metabolite Name : Petasol ester B , S-Petasin , Petasyl (Z)-3-(methylthio)acrylate ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017012 Neo-S-petasin 100.00
C00050186 Petasone A
(+)-Petasone A		 93.88
C00050185 Petasinol
(+)-Petasinol		 91.84
C00050187 Petasone B
(-)-Petasone B		 91.84
C00003169 Petasin 91.49
C00017015 S-Japonin 91.49
C00050236 S-Petasitin 89.80
C00037366 Kanshone F
(-)-Kanshone F		 89.58
C00023447 Relhaniaic acid 89.36
C00016971 Eremofortin C 85.71
C00022515 ent-3beta-Hydroxy-8(17),13Z-labdadien-15-oic acid 85.11
C00023446 Hydrohalimic acid 85.11
C00023448 ent-15-Oxo-1(10),13E-halimadien-15-oic acid 85.11
C00023450 ent-15-Oxo-1(10),13Z-halimadien-15-oic acid 85.11
C00042990 seco-Hinokiol
(+)-seco-Hinokiol		 85.11
C00017403 S-Petasitolide B 84.00
C00003176 PR toxin 83.67
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 83.67
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 83.67
C00016967 Petasitin 83.67
C00023431 ent-14S,15-Dihydroxy-1(10),13(16)-halimadien-18-oic acid 83.67
C00045294 Dunniana acid A
(+)-Dunniana acid A		 83.67
C00047241 Guggulsterone 83.67
C00017367 3beta-Angeloyloxyfuranoeremophilane 83.33
C00023174 ent-6-Oxo-labda-7,12E,14-triene-17,11-olide 83.33
C00033535 18-Hydroxyhugorosenone
(+)-18-Hydroxyhugorosenone		 83.33
C00048665 Clavirolide C 83.33
C00016972 Eremofortin A 82.98
C00020253 2alpha-Angeloxyanhydrooplopanone 82.98
C00022422 16-Hydroxy-6,8(17),ent-13E-labdatrien-15-oic acid 82.98
C00022450 3alpha-Hydroxy-7,13E-labdadien-15-oic acid 82.98
C00022475 Rhinocerotinoic acid 82.98
C00022709 Agathalic acid 82.98
C00023334 13E-Labdene-3beta,8alpha,15-triol 82.98
C00025394 Paniculine 82.98
C00030311 Forskoditerpene A 82.98
C00038241 3,4-seco-Sonderianic acid 82.98
C00038555 Axinisothiocyanate H
(+)-Axinisothiocyanate H		 82.98
C00040743 (+)-(4->2)-abeo-Kolavelool-3-oic acid 82.98
C00042179 8-Acetylcaespitol 82.98
C00044423 15-hydroxy-cis-clerodan 3-ene-18-oic acid
(+)-15-hydroxy-cis-clerodan 3-ene-18-oic acid		 82.98
C00045295 Dunniana acid B
(+)-Dunniana acid B		 82.98
C00047203 Callicarpic acid A
(-)-Callicarpic acid A		 82.98
C00032495 Viteagnusin B
(+)-Viteagnusin B		 82.35
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 82.00
C00017402 S-Petasitolide A 82.00
C00023440 ent-13,14-Epoxy-15-hydroxy-1(10)-halimen-18-oic acid 82.00
C00025518 Malouetafrine 82.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H		 82.00
C00000273 Nagilactone F 81.63
C00016388 (+)-Phomopsidin
Fungicidal TUF 95F47
Phomopsidin
TUF 95F47		 81.63
C00016599 (+)-Phomactin G
Phomactin G		 81.63
C00020243 2alpha-Angeloyloxy-9-oxoisoanhydrooplopanone 81.63
C00021702 9beta-Isovaleryloxy costunolide 81.63
C00022227 (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid 81.63
C00022430 16-Hydroxy-6-oxo-7,ent-13E-labdasien-15-oic acid 81.63
C00022742 ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid 81.63
C00023333 3beta,7alpha-Dihydroxy-8(17)-labden-15-oic acid 81.63
C00023433 ent-14R,15-Dihydroxy-1(10),13(16)-halimadien-18-oic acid methyl ester 81.63
C00023451 1(10),13Z-Halimadiene-15,18-dioic acid 81.63
C00045179 3beta-Hydroxy-5alpha-pregn-16-en-20-one
(+)-3beta-Hydroxy-5alpha-pregn-16-en-20-one		 81.63
C00047064 Lobohedleolide
(+)-Lobohedleolide		 81.63
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