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


and

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




INPUT WORD = C00044994 , 50% or more
[ Metabolite Name : Pachyclavulariolide R , (-)-Pachyclavulariolide R ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00044993 Pachyclavulariolide Q
(+)-Pachyclavulariolide Q		 96.30
C00012028 Zinaflavin A 92.59
C00040136 Querciformolide D
(-)-Querciformolide D		 92.59
C00040309 Sinulaflexiolide B
(+)-Sinulaflexiolide B		 92.59
C00040317 Sinulariolone
(-)-Sinulariolone		 92.59
C00044992 Pachyclavulariolide P
(-)-Pachyclavulariolide P		 92.59
C00011782 Mollisorin B 90.74
C00011847 Eupachifolin A 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
C00012027 (+)-Zinaflavin B
Zinaflavin B		 90.74
C00012057 Zinaflavin H 90.74
C00012196 (-)-Ursiniolide D
Ursiniolide D		 90.74
C00012399 Zinangustolide 90.74
C00039365 Helivypolide D 90.74
C00044990 Pachyclavulariolide N
(-)-Pachyclavulariolide N		 90.74
C00044991 Pachyclavulariolide O
(-)-Pachyclavulariolide O		 90.74
C00003232 (+)-Cnicin
Cnicin		 89.09
C00043499 Eupachinilide H
(-)-Eupachinilide H		 89.09
C00003334 Molephantinin 88.89
C00011806 9-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 88.89
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 88.89
C00011848 1(10)E-Millerenolide 88.89
C00011871 Cordifolia 54 88.89
C00011874 Deltoidin B 88.89
C00011985 [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]- 6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid 88.89
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 88.89
C00012082 Euperfolin 88.89
C00012084 (-)-Blumealactone A
Blumealactone A		 88.89
C00012114 Ladibranolide 88.89
C00012213 Germanin A 88.89
C00012267 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 88.89
C00012276 Linearilobin F 88.89
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		 88.89
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		 88.89
C00020505 Epicentaurepensin
Linichlorin B		 88.89
C00021061 Fastigilin A 88.89
C00023191 8beta-Tigloyloxy-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4E-11(13)-trien-6,12-olide 88.89
C00040311 Sinulaflexiolide D
(+)-Sinulaflexiolide D		 88.89
C00041649 Manaarenolide A
(-)-Manaarenolide A		 88.89
C00041650 Manaarenolide B
(-)-Manaarenolide B		 88.89
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 88.89
C00043001 Sinularolide A
(+)-Sinularolide A		 88.89
C00047218 Durumhemiketalolide A
(+)-Durumhemiketalolide A		 88.89
C00049404 Tomenphantin A 88.89
C00011778 [3aR-[3aR*,4R*(2S*,3S*),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 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid 87.72
C00003271 Eupahyssopin 87.50
C00003348 Phantomolin 87.50
C00011777 [3aR-[3aR*,4R*(2R*,3R*),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 2-(hydroxymethyl)-3-methyl-oxiranecarboxylic acid 87.50
C00012160 Euperfolitin 87.50
C00000312 Elephantopin 87.27
C00003282 Euponin 87.27
C00011996 Zempoalin C 87.27
C00012060 Verafinin C 87.27
C00012098 Dihydroelephantopin 87.27
C00012228 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 87.27
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 87.27
C00012277 Linearilobin G 87.27
C00012984 (+)-Tirotundifolin A
Tirotundifolin A		 87.27
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 87.27
C00020588 Subacaulin 87.27
C00020822 Schischkinin A 87.27
C00041071 Neurolenin D 87.27
C00041457 Crassocolide C
(+)-Crassocolide C		 87.27
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