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


and

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





INPUT WORD = C00017403 , 50% or more
[ Metabolite Name : S-Petasitolide B ]
Number of matched data : 75

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017402 S-Petasitolide A 98.00
C00017400 Petasitolide A 94.00
C00017401 Petasitolide B 94.00
C00017414 [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-methylbutanoic acid 92.00
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 92.00
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 90.00
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
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 90.00
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 90.00
C00017381 [4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 90.00
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane
90.00
C00017417 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane 90.00
C00017419 6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane 90.00
C00050185 Petasinol
(+)-Petasinol
90.00
C00050187 Petasone B
(-)-Petasone B
90.00
C00017321 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid 88.24
C00017379 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 88.24
C00003148 10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane 88.00
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 88.00
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 88.00
C00017015 S-Japonin 88.00
C00017308 NSC 302301 88.00
C00017346 Furanopetasine 88.00
C00017366 [4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid 88.00
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 88.00
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 88.00
C00022230 Phlogantholide A 88.00
C00022770 Pinusolidic acid 88.00
C00023344 Nivenolide 88.00
C00023443 Koanophyllic acid C 88.00
C00045463 Zaluzanin C isovalerate
(+)-Zaluzanin C isovalerate
88.00
C00050186 Petasone A
(+)-Petasone A
88.00
C00017311 [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 86.54
C00017407 [4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 86.54
C00017415 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid 86.54
C00017416 [4S-[4alpha(E),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-pentenoic acid 86.54
C00003208 Alatolide 86.27
C00017393 Senemorin 86.27
C00043603 Hypopurin D
(+)-Hypopurin D
86.27
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate
86.00
C00012696 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
86.00
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 86.00
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 86.00
C00017303 Palmosalide B 86.00
C00017310 [4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 86.00
C00017320 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid 86.00
C00017347 10beta-Hydroxy-2beta-(2-methylacryloyloxy)furanoeremophilane 86.00
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 86.00
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 86.00
C00017364 Furanojaponin 86.00
C00017367 3beta-Angeloyloxyfuranoeremophilane 86.00
C00017370 Albopetasin
Albopetasine
86.00
C00017382 4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methylbutanoic acid 86.00
C00017383 4alpha-Hydroxy-6beta-(isovaleryloxy)euryopsin 86.00
C00017384 [4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 86.00
C00017385 4alpha-Hydroxy-6beta-(tiglinoyloxy)euryopsin 86.00
C00017413 6beta-Angeloyloxy-10alphaH-9-oxofuranoeremophilane 86.00
C00017426 6beta-(2-Methylacryloyloxy)-9-oxoeuryopsin 86.00
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 86.00
C00020521 Diaspanolide A 86.00
C00020798 Subexpinnatin 86.00
C00020801 [3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 86.00
C00021190 Incaspin 86.00
C00021348 8-Senecioyloxy-14-thapsanol 86.00
C00022232 14-Deoxyandrographolide 86.00
C00032500 Vitexifolin E 86.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H
86.00
C00039215 Flexibilide 86.00
C00039908 Ovatodiolide
(+)-Ovatodiolide
86.00
C00042062 1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
(-)-1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
86.00
C00045462 Zaluzanin C isobutyrate
(+)-Zaluzanin C isobutyrate
86.00
C00046984 (7Z)-Lobohedleolide
(+)-(7Z)-Lobohedleolide
86.00
C00049094 6beta-Isobutyryloxysenberginone 86.00
C00049157 Eremopetasitenin D3
(+)-Eremopetasitenin D3
86.00
C00050089 epi-Norcembrene 86.00
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