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


and

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




INPUT WORD = C00012061 , 50% or more
[ Metabolite Name : 11,13-Dihydrovernodalin ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003384 Vernodalin 100.00
C00012058 (+)-20-Hydroxyelemajurinelloide 94.55
C00011998 [3aR-[3aalpha,4beta(Z),6alpha,7beta,7abeta]]-6-Ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 94.44
C00011999 [3aR-[3aalpha,4beta(E),6alpha,7beta,7abeta]]-6-ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 94.44
C00034536 Hierapolitanin A
(+)-Hierapolitanin A		 94.44
C00003385 Vernodalol 92.98
C00011996 Zempoalin C 92.73
C00012060 Verafinin C 92.73
C00020595 Janerin 92.73
C00003243 Cynaropicrin 92.59
C00003366 Saupirin
sauparine		 92.59
C00011847 Eupachifolin A 92.59
C00011887 Tagitinin D
Tirotundin		 92.59
C00012055 (+)-Elemacarmanin
Elemacarmanin		 92.59
C00012154 Tagitinin A 92.59
C00012399 Zinangustolide 92.59
C00013086 Trichomatolide B
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9aalpha,9bbeta]]-Dodecahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 92.59
C00020505 Epicentaurepensin
Linichlorin B		 92.59
C00020735 Repdiolide 92.59
C00020850 Acrorepiolide 92.59
C00035782 15-O-Isovaleroyl-2alpha-hydroxyamphoricarpolide 92.59
C00039365 Helivypolide D 92.59
C00012110 Punctaliatrin
Punctatin
Punctatin		 91.07
C00020437 Chlororepdiolide
Cebellin E		 91.07
C00020438 Repensolide 91.07
C00020737 Repin 91.07
C00003390 Vernomygdin 90.91
C00012984 (+)-Tirotundifolin A
Tirotundifolin A		 90.91
C00013213 [3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-propenoic acid 90.91
C00020736 Epoxyrepdiolide 90.91
C00023190 8beta-(4'-hydroxytigloyloxy)-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4Z,11(13)-trien-6,12-olide 90.91
C00003208 Alatolide 90.74
C00003342 Orizabin 90.74
C00003398 Zexbrevin B 90.74
C00011857 Vernopectolide B 90.74
C00011859 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 90.74
C00011980 Schkuhridin A 90.74
C00011981 Zinarosin 90.74
C00011989 [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 90.74
C00011991 [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid 90.74
C00012086 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.74
C00012094 Budlein A isobutyrate
Viguiepinin		 90.74
C00012113 Zexbrevin 90.74
C00012114 Ladibranolide 90.74
C00012116 (-)-Lychnopholide
Lychnopholide		 90.74
C00012140 Tagitinin B 90.74
C00012300 Resinosolide 90.74
C00012956 Tanapsin
[3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.74
C00013087 Trichomatolide C
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9bbeta]]- 2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6,8-dihydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.74
C00013210 (-)-Eriolanin
Eriolanin
[3aalpha,4alpha,5(S*),7aalpha]-(-)- 2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-(4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid		 90.74
C00020443 Linichlorin A
Elegin
19-Desoxychlorojanerin		 90.74
C00020513 Dehydrocyanaropicrin 90.74
C00020594 19-Deoxyjanerin
Desoxyrepin		 90.74
C00023191 8beta-Tigloyloxy-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4E-11(13)-trien-6,12-olide 90.74
C00030468 Hemistepsin 90.74
C00033836 Estafiatin 8-O-isovalerate 90.74
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 90.74
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