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


and

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




INPUT WORD = C00012643 , 50% or more
[ Metabolite Name : 15-Acetoxyscirpen-3,4-diol , 15-Acetoxyscirpenol , 15-Acetylscirpenetriol , 15-Mono-O-acetylscirpenol , 15-O-Acetylscirpenetriol , 4-Deacetylanguidin ]
Number of matched data : 73

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012638 15-Deacetylneosolaniol
Toxin NT 2		 94.12
C00012629 15-Deacetylcalonectrin
15-Decalonectrin
15-Desacetylcalonectrin
15-O-Deacetylcalonectrin		 93.88
C00003195 Trichodermin 89.80
C00012645 Isotrichodermin 89.80
C00012647 [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate 89.80
C00003129 Diacetoxyscirpenol 89.09
C00012630 4,15-Diacetylverrucarol
Antibiotic A 2
Di-O-acetylverrucarol		 88.68
C00012631 (+)-Calonectrin
Calonectrin		 88.68
C00012634 Fusarenone X 88.68
C00046956 Trichothecinol A
(+)-Trichothecinol A		 88.68
C00003167 Nivalenol 87.76
C00012637 T 2 toxin tetraol
T-2 Tetraol
T-2 tetrol
Toxin T 2 tetraol
Toxin T 4
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol		 87.76
C00012642 Anguidol
Scirpenetriol
Scirpenol
Scirpentriol
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,15-triol		 87.76
C00040199 Salograviolide B 87.76
C00003196 Trichothecin 86.27
C00012636 (3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate 85.96
C00012641 (3alpha,4beta)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one 85.96
C00003234 Conchosin B 85.71
C00011875 (+)-Paramicholide
Paramicholide		 85.71
C00012083 (-)-Blumealactone C
Blumealactone C		 85.71
C00020599 Artefransin 85.71
C00021095 15-Acetoxyrudmollin 85.71
C00021098 Gaillardilin 85.71
C00021176 Flexuosin A 85.71
C00022656 3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A 85.71
C00029317 (2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid 85.71
C00042887 Pulicanaral C 85.71
C00011850 9-Hydroxyglabratolide 84.31
C00012030 (-)-Zinaflavin F
Zinaflavin F		 84.31
C00012613 Neosolaniol
Neozolaniol
Solaniol
Solaniol
(3alpha,4beta,8alpha)-12,13-Epoxy-trichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate		 84.21
C00012632 Verrol (terpene)
[4beta,15(E)]-15-(5-Hydroxy-3-methyl-2-pentenoate) 12,13-epoxytrichothec-9-ene-4,15-diol		 84.21
C00012639 Isoneosolaniol
NT 1
Toxin NT 1
Toxin T 1		 84.21
C00012640 Deacetyl HT 2 toxin
T 2 triol
Toxin T 2 triol
Toxin T 3
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol 8-isovalerate		 84.21
C00010642 (-)-Nepetaside 84.00
C00010728 Villoside 84.00
C00001319 Pinolidoxin 83.67
C00003187 Shiromodiol diacetate 83.67
C00003201 Vomitoxin 83.67
C00003380 epi-Tulipinolide diepoxide 83.67
C00010634 Boschniaside 83.67
C00011734 Neoliacinic acid 83.67
C00011755 Herbolide D 83.67
C00012059 Dicotomentolide 83.67
C00012199 Herbolide B 83.67
C00013088 [5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one 83.67
C00020587 Arteglasin B 83.67
C00020860 9beta-Hydroxykandavanolide 83.67
C00020876 Ajafin 83.67
C00020930 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide 83.67
C00020931 6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide 83.67
C00021094 4-Acetoxyrudmollin 83.67
C00021569 Botryaloic acid acetate 83.67
C00021572 Botryoloic acid 83.67
C00021784 8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol 83.67
C00021887 1,10-Diacetoxy-3(15)-gymnomitrene 83.67
C00023326 ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol 83.67
C00023364 Villenatriolone 83.67
C00027961 Broussonetine D 83.67
C00027971 Broussonetinine B 83.67
C00030591 Kankanoside E
(-)-Kankanoside E		 83.67
C00032772 Broussonetine M1
(+)-Broussonetine M1
 83.67
C00032775 Broussonetine P
(+)-Broussonetine P		 83.67
C00032782 Broussonetine V
(+)-Broussonetine V		 83.67
C00036239 Verrucarol 83.67
C00039250 Gallicynoic acid F
(-)-Gallicynoic acid F		 83.67
C00040198 Salograviolide A 83.67
C00041061 Methyl picrotoxate
(+)-Methyl picrotoxate		 83.67
C00042062 1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
(-)-1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide		 83.67
C00045604 Acalycixeniolide F
(+)-Acalycixeniolide F		 83.67
C00046820 Methyl botryoloate
(+)-Methyl botryoloate		 83.67
C00047352 Sesbanimide B 83.67
C00049702 Algoane
(+)-Algoane		 83.67
C00050213 Sandensolide 83.67
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