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


and

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




INPUT WORD = C00042178 , 50% or more
[ Metabolite Name : 8,10-Epoxy-9-acetoxythymol angelate ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00038116 10-Acetoxy-8,9-epoxythymolisobutyrate 93.33
C00010837 2-Methyl-2-[2-[(acetyloxy)methyl]oxiranyl]-4-methoxy-5-methylphenyl ester 91.84
C00010831 Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid 89.36
C00021113 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate 88.89
C00010832 2-Methyl-4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl ester isobutyrate 87.76
C00021112 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane 86.67
C00032356 Thymol glucoside
Thymol-beta-D-glucoside		 86.67
C00037214 Grandiamide B 86.67
C00030419 Goniodiol-7-monoacetate 85.11
C00010836 (E)-2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 84.91
C00012199 Herbolide B 84.78
C00020476 Achillicin 84.78
C00038948 Dasyclamide 84.78
C00007979 2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione 84.44
C00011755 Herbolide D 84.44
C00030420 Goniodiol-8-monoacetate 84.44
C00033260 Odorine 84.44
C00037802 Secoodorine 84.44
C00049307 Sporovexin C
(-)-Sporovexin C		 84.44
C00010833 2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 84.31
C00045594 8-Hydroxy-9-isobutyryloxy-10(2)-methylbutyrylthymol 84.00
C00010835 (E)-2-Methyl-[2-[5-methoxy-4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]oxiranyl]methyl ester 83.02
C00029541 4-O-Cinnamoylquinic acid 82.98
C00034342 Xylaroside B
(+)-Xylaroside B		 82.98
C00035951 4-O-Cinnamoyl quinic acid 82.98
C00033552 2-Hydroxy-2-(2-hydroxy-4-methylphenyl)propane-1,3-diyl (2Z,2'Z)- bis(2-methylbut-2-enoate)
Hofmeisterin IV		 82.69
C00002359 Porritoxin 82.61
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		 82.61
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 82.61
C00019964 trans-O-Methylgrandmarin 82.61
C00036120 Greveiglycol 82.61
C00000313 Xanthinin 82.22
C00003343 Ovatifolin 82.22
C00003402 Allogibberic acid 82.22
C00007996 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone 82.22
C00016498 NFAT 133 82.22
C00020336 Xanthanol
Xanthumanol
2-Acetylivalbin		 82.22
C00023457 Fregenedadiol 82.22
C00024140 Bungeiside B 82.22
C00030716 Manglieside A 82.22
C00032379 Triandrin 82.22
C00032892 Demethoxybergenin
(-)-Demethoxybergenin		 82.22
C00033088 Juniperoside I
(-)-Juniperoside I		 82.22
C00033089 Juniperoside II
(-)-Juniperoside II		 82.22
C00035183 Columbianetin acetate 82.22
C00035708 Officinalin isobutyrate 82.22
C00036007 3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside 82.22
C00036358 (Z)-4-Hydroxy-cinnamyl alcohol 4-O-beta-D-glucopyranoside 82.22
C00036859 Caespitin 82.22
C00037392 Knightoline
(+)-Knightoline		 82.22
C00038481 Aposphaerin C 82.22
C00040930 Cryptocaryalactone 82.22
C00041278 5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene 82.22
C00041324 Aglamide A 82.22
C00041326 Aglamide C 82.22
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