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


and

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




INPUT WORD = C00003101 , 50% or more
[ Metabolite Name : Valtrate , Valtratum ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00040277 1-Seneciovaltrate
Seneciovaltrate		 100.00
C00010581 Isovaltrate 98.39
C00047474 Jatamanvaltrate K
(+)-Jatamanvaltrate K		 96.83
C00040334 Sorbifolivaltrate B 95.31
C00003078 Didrovaltrate
Didrovaltratum		 95.16
C00047365 5-Hydroxydidrovaltrate 93.75
C00047471 Jatamanvaltrate H
(-)-Jatamanvaltrate H		 93.65
C00047473 Jatamanvaltrate J
(+)-Jatamanvaltrate J		 93.65
C00045855 Dihomovaltrate 92.42
C00047470 Jatamanvaltrate G
(-)-Jatamanvaltrate G		 92.06
C00045509 11-Homohydroxyldihydrovaltrate
(-)-11-Homohydroxyldihydrovaltrate		 90.91
C00021269 Plagiochilin B 90.32
C00010684 Dihydroserruloside 89.06
C00012311 Neurolenin B 88.71
C00010724 Acevaltrate
Acetoxyvaltrate
Acetovaltrate		 88.57
C00010645 Patrinoside 87.88
C00010646 Patrinalloside 87.88
C00010723 Valerosidate
Valerosidatum		 87.88
C00010648 Serrulatoloside 87.50
C00010651 Penstemide 87.50
C00010683 Serruloside 87.50
C00021265 Plagiochilin G 87.30
C00012315 [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 87.10
C00047476 Jatamanvaltrate M
(-)-Jatamanvaltrate M		 87.10
C00040333 Sorbifolivaltrate A 86.76
C00010543 Ebuloside 85.94
C00010545 7,7-O-Dihydroebuloside 85.94
C00003276 Eupatocunoxin 85.48
C00041954 Umbellacin B 85.48
C00042290 Blumicin A
(-)-Blumicin A		 85.48
C00010698 Suspensolide F 85.29
C00045502 10-Acetoxy-1-homovaltrate hydrin
(+)-10-Acetoxy-1-homovaltrate hydrin		 84.51
C00012226 Ethoxyisorolandrolide 84.13
C00012661 Trichoverrol A
[4b(2Z,4E,6S,7S)]-4-(6,7-dihydroxy-2,4-octadienoate) 12,13-Epoxy-trichothec-9-ene-4,15-diol		 84.13
C00012664 [4beta(2Z,4E,6S,7S)]- 12,13-Epoxytrichothec-9-ene-4,16-diol 4-(6,7-dihydroxy-2,4-octadienoate) 84.13
C00012665 Trichoverrol B
[4beta(2Z,4E,6S,7R)]-12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate)		 84.13
C00020548 Ixerin F 84.13
C00020596 Deoxygraminiliatrin 84.13
C00020763 Diaspanoside A 84.13
C00033764 Dentatin C
(-)-Dentatin C		 84.13
C00041961 Umbellacin I
(-)-Umbellacin I		 84.13
C00044503 Adinoside A 84.13
C00010586 Kanokoside A 84.06
C00047433 Didrovaltrate acetoxy hydrin 84.06
C00011855 Acanthospermal B 83.87
C00011872 Cordifolia 55 83.87
C00012157 8-Tigloystilpnotomentolide
[4S-[4R*(E),6S*,7R*,10S*,11E]]-2-[(Acetyloxy)methyl]-2,4,5,6,7,8,9,10-octahydro-7-hydroxy-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid		 83.87
C00012233 Orientalide 83.87
C00022498 Methyl ent-16-acetoxy-8beta-formyl-8-desmethyl-6,13E-labdadien-15-oate 83.87
C00037304 Integrifoside C 83.87
C00040612 Valdivone A 83.87
C00041358 Asbestinin-25
(+)-Asbestinin-25		 83.87
C00041730 Parvifoline I
(-)-Parvifoline I		 83.87
C00045436 Vibsanol B
(+)-Vibsanol B		 83.87
C00047266 Lasiokaurinol 83.87
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