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


and

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




INPUT WORD = C00020443 , 50% or more
[ Metabolite Name : Linichlorin A , Elegin , 19-Desoxychlorojanerin ]
Number of matched data : 80

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020437 Chlororepdiolide
Cebellin E		 96.43
C00020438 Repensolide 96.43
C00020505 Epicentaurepensin
Linichlorin B		 96.30
C00020594 19-Deoxyjanerin
Desoxyrepin		 96.30
C00020850 Acrorepiolide 96.30
C00020595 Janerin 94.55
C00020736 Epoxyrepdiolide 94.55
C00003243 Cynaropicrin 94.44
C00003366 Saupirin
sauparine		 94.44
C00020735 Repdiolide 94.44
C00033836 Estafiatin 8-O-isovalerate 94.44
C00020441 Chlorohyssopifolin E 93.10
C00042358 Cebellin J 93.10
C00003206 Acroptilin 92.98
C00020444 Solstitiolide 92.98
C00020445 Episolstitiolide 92.98
C00042271 Babylin B 92.98
C00020737 Repin 92.86
C00011847 Eupachifolin A 92.59
C00011887 Tagitinin D
Tirotundin		 92.59
C00012082 Euperfolin 92.59
C00012116 (-)-Lychnopholide
Lychnopholide		 92.59
C00012154 Tagitinin A 92.59
C00012399 Zinangustolide 92.59
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		 92.59
C00020511 Aguerin A 92.59
C00020512 Aguerin B 92.59
C00020858 Subcordatolide A 92.59
C00035782 15-O-Isovaleroyl-2alpha-hydroxyamphoricarpolide 92.59
C00036422 17,18-Dehydroviguiepinin
(-)-17,18-Dehydroviguiepinin		 92.59
C00039365 Helivypolide D 92.59
C00003230 Centaurepensin
Chlorohyssopifolin A		 91.38
C00020702 [3aR-[3aalpha,4beta(S*),6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta]]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 91.23
C00003293 Goyazensolide 90.91
C00011996 Zempoalin C 90.91
C00012060 Verafinin C 90.91
C00012242 [3aR-(3aR*,4S*,5R*,6E,10S*,11R*,11aS*)]-2,3,3a,4,5,8,9,10,11,11a-Decahydro-5,10,11-trihydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.91
C00012403 Eremantholide B 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
C00020962 4-O-Tigloyl-11,13-dihydroautumnolide 90.91
C00003257 Eremantholide A 90.74
C00003284 Fastigilin B 90.74
C00003384 Vernodalin 90.74
C00011779 [3aR-[3aR*,4R*(S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-hydroxy-2-methylene-butanoic acid 90.74
C00011808 2,3,3a,4,5,8,9,11a-Octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-butanoic acid 90.74
C00011865 Erioflorin 90.74
C00011868 Argophyllin C 90.74
C00011871 Cordifolia 54 90.74
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 90.74
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 90.74
C00012061 11,13-Dihydrovernodalin 90.74
C00012084 (-)-Blumealactone A
Blumealactone A		 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
C00012117 15-Deoxygayazensolide 90.74
C00012300 Resinosolide 90.74
C00012404 Eremantholide C 90.74
C00012868 Subcordatolide C
[3aR-(3aalpha,4alpha,4aalpha,8beta,8abeta,9aalpha)]-Dodecahydro-8-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid		 90.74
C00012986 Trichomatolide D
(3aR,4R,5aR,6R,9aS,9bR)-[partial]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 90.74
C00012987 Trichomatolide E
[3aR-[3aalpha,4beta(E),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-(hydroxymethyl)-2-butenoic acid		 90.74
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		 90.74
C00013097 Vahlenin
(Dodecahydro-6,9-dihydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-yl)methyl ester 2-methyl-2-propenoic 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
C00020481 Hydrobahia III 90.74
C00020513 Dehydrocyanaropicrin 90.74
C00021161 Desacetyltetraneurin D 15-O-isobutyrate 90.74
C00023191 8beta-Tigloyloxy-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4E-11(13)-trien-6,12-olide 90.74
C00029909 Carlaolide A
(-)-Carlaolide A		 90.74
C00030468 Hemistepsin 90.74
C00033835 Estafiatin 8-O-angelate 90.74
C00040113 Pulchellamine B
(+)-Pulchellamine B		 90.74
C00040136 Querciformolide D
(-)-Querciformolide D		 90.74
C00040309 Sinulaflexiolide B
(+)-Sinulaflexiolide B		 90.74
C00040317 Sinulariolone
(-)-Sinulariolone		 90.74
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 90.74
C00049404 Tomenphantin A 90.74
C00049405 Tomenphantin B 90.74
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