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


and

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




INPUT WORD = C00013098 , 50% or more
[ Metabolite Name : Vernodesmin , [3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00024032 Scopadulcic Acid A 87.14
C00012795 [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate 86.76
C00047532 Oligandriortholactone
(+)-Oligandriortholactone		 86.76
C00012768 Rupestrol cinnamate 85.29
C00013186 (-)-Malkangunin
Malkangunin
Malkanguniol 4-acetate 5-benzoate
[3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate		 85.29
C00013200 Mortonin B
(5alpha,5aalpha,6alpha,7beta,9beta,9aalpha)-7-(Acetyloxy)-6-(benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 85.29
C00029871 Caesalpinin D 85.29
C00030160 Dulcinol
Scopadulciol		 85.29
C00012293 Longicornin D 84.06
C00012075 Cinnamoylepoxyechinadiol 83.82
C00012165 [3aS-[3aR*,4R*,5S*(Z),6S*,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid 83.82
C00012954 [3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid 83.82
C00025186 CID is old! 83.82
C00045041 Reissantin D 83.82
C00011870 Lacinolide A 83.78
C00047632 1,3,7-Trideacetylkhivorin 83.10
C00012373 (+)-Divaricin A
Divaricin A		 82.86
C00012374 (+)-Divaricin C
Divaricin C		 82.86
C00032594 10-Benzoylcatalpol
10-O-Benzoylcatalpol
(-)-10-O-Benzoylcatalpol		 82.86
C00043682 Luzonoid E
(+)-Luzonoid E		 82.86
C00027675 12-Methoxy-10-demethoxy-kopsidasinine
(-)-12-Methoxy-10-demethoxy-kopsidasinine		 82.61
C00042326 Caesalpinin E
(+)-Caesalpinin E		 82.61
C00012281 Repandin E 82.35
C00012292 Longicornin B 82.35
C00012298 [3aS-[3aR*,4R*(S*),5R*,6E,10R*,11aS*]]-5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin B		 82.35
C00012371 Incaspitolide E 82.35
C00012401 Incaspitolide A 82.35
C00012794 Ivanuol
[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate		 82.35
C00020559 Talassin A 82.35
C00027362 Fenfangjine G 82.35
C00028360 Huperserratinine 82.35
C00038149 12-Methoxypleiocarpine
(-)-12-Methoxypleiocarpine		 82.35
C00039572 Kopsiflorine N(4)-oxide
(-)-Kopsiflorine N(4)-oxide		 82.35
C00043678 Luzonoid A
(+)-Luzonoid A		 82.35
C00043680 Luzonoid C
(+)-Luzonoid C		 82.35
C00047224 Erythrophloin A 82.35
C00050338 Cardivin C 82.35
C00013170 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 82.19
C00045042 Reissantin E 82.19
C00011060 Lactiflorin 81.69
C00011367 Ascochalasin 81.69
C00024546 Kopsidasine N-oxide 81.69
C00010520 Veronicoside 81.43
C00011336 Epoxycytochalasin J
Epoxydeacetylcytochalasin H
Deacetylepoxycytochalasin H		 81.43
C00024532 Epilapidilectinol
(+)-Epilapidilectinol		 81.43
C00040272 Seguinoside G
(-)-Seguinoside G		 81.43
C00043021 Stephalonine A
(+)-Stephalonine A		 81.43
C00011334 Cytochalasin J
Deacetylcytochalasin H
Kodocytochalasin 2
Paspalin P-2		 81.16
C00011366 Protophomin 81.16
C00012234 Melrosin A 81.16
C00012235 Melrosin B 81.16
C00012238 Longicornin A 81.16
C00015469 PF 1163A 81.16
C00034057 Methyl 12-methoxychanofruticosinate
Methyl-12-methoxychanofruticosinate		 81.16
C00037396 Kuhistanicaol A
(+)-Kuhistanicaol A		 81.16
C00039576 Kopsiloscine C
(-)-Kopsiloscine C		 81.16
C00042168 7-Acetoxybonducellpin C
(+)-7-Acetoxybonducellpin C		 81.16
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