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


and

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




INPUT WORD = C00021292 , 50% or more
[ Metabolite Name : Acetylvalerenolic acid ]
Number of matched data : 72

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012933 [3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-6-(Acetyloxy)-3a,4,4a,5,6,8a,9,9a-octahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one 88.64
C00021018 3beta-Acetoxy-desoxo-achalensolide 88.64
C00012838 9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
[2S-(2alpha,4alpha,4aalpha)]-4-(acetyloxy)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 88.37
C00020387 8alpha-Acetoxydolichlasin 88.37
C00021108 4beta-Acetoxy-4-desoxodamsinic acid 88.37
C00037885 Tanzawaic acid E 88.37
C00041308 Acetyl neobritannilactone B 88.37
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		 86.96
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		 86.36
C00020765 6beta-Acetoxyisodrimenin 86.36
C00021023 15-Acetoxy-11beta,13-dihydroziniolide 86.36
C00023180 Eupalinilide D 86.36
C00032545 Zaluzanin D 86.36
C00003379 epi-Tulipinolide 86.05
C00012198 Herbolide A 86.05
C00021291 Valerenolic acid
Hydroxyvalerenic acid		 86.05
C00030533 Isoketochabrolic acid 86.05
C00030607 Ketochabrolic acid 86.05
C00042880 Pulicanadienal B
(+)-Pulicanadienal B		 86.05
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		 84.78
C00012870 [4aS-(4aalpha,8beta,8abeta,9abeta)]-8-(Acetyloxy)-4a,7,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-naphtho[2,3-b]furan-2(4H)-one 84.78
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		 84.78
C00020478 Cumambrin A 84.78
C00020480 Dihydrocumambrin A 84.78
C00021069 6-Deoxychamissonolide 84.78
C00021071 Stevin 84.78
C00000313 Xanthinin 84.44
C00011783 Chihuahuin 84.44
C00021044 Apachin 84.44
C00032600 14,15,-Bisnor-8(17)-labdene-16,19-dioic acid 84.44
C00033119 Lindenanolide H 84.44
C00037886 Tanzawaic acid F
(+)-Tanzawaic acid F		 84.44
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		 84.09
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		 84.09
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		 84.09
C00017059 (Z,E,E,E,E)-14-(5-Oxo-2(5H)-furanylidene)-2,8,10,12-tetradecatetraene-4,6-diynoic acid
Xerulinic acid		 84.09
C00020730 Penziafulvenolide 84.09
C00020917 3beta-Acetoxy-5,11(13)-guaiadien-12,8alpha-olide 84.09
C00020997 [3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-6-(Acetyloxy)decahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one 84.09
C00021695 Acetylivalin 84.09
C00022675 14-Acetoxy-11alpha,13-dihydrodesoxyivangustin 84.09
C00034432 9,10-Epoxy-18-hydroxy-octadecanoic acid 84.09
C00000398 8R-Hydroxylinoleic acid
Laetisaric acid		 83.72
C00003105 Buddledin A 83.72
C00003378 Tulipinolide 83.72
C00007585 Octadeca-9-ene-1,18-dioic-acid 83.72
C00010991 [3S-(3alpha,3abeta,7beta,7abeta)]-7-Dimethyl-3,7a-bis(acetyloxy)hexahydro-3a 1,4-isobenzofurandione 83.72
C00011382 9-Oxo-5-acetoxynerolidol 83.72
C00011432 [3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 9-acetate 83.72
C00012037 Epitulipdienolide
Elemanolide		 83.72
C00012185 Novanin 83.72
C00012686 Austradiol acetate
[1R-(1a,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol 8-acetate		 83.72
C00013198 Ivangulin
[3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid methyl ester		 83.72
C00015381 5,6-Dihydrocineromycin B 83.72
C00016030 7-O-demethyl-albocycline
Cineromycin B		 83.72
C00016219 7-Demethoxy-7-oxo-albocycline
Dehydrocineromycin B		 83.72
C00016221 7-O-Demethyl-2,3-dihydro-albocycline
2,3-Dihydrocineromycin B		 83.72
C00016920 Hynapene B 83.72
C00016921 Hynapene C 83.72
C00016932 Discosiolide 83.72
C00017519 1-Acetoxydihydroisochromolaenin 83.72
C00020354 Cyclokessyl acetate 83.72
C00020842 Porelladiolide 83.72
C00021088 5-Acetoxynerolidol 83.72
C00022665 4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester 83.72
C00023428 Acrostalic acid 83.72
C00023429 LL-Z1271beta 83.72
C00023716 Achaetolide 83.72
C00028999 Serratezomine A 83.72
C00030901 Ostopanic acid
(8E,10E)-7,12-dioxo-8,10-octadecadienoic acid		 83.72
C00032677 8-Acetoxyfalcarinol 83.72
C00039249 Gallicynoic acid D
(+)-Gallicynoic acid D		 83.72
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