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


and

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




INPUT WORD = C00044993 , 50% or more
[ Metabolite Name : Pachyclavulariolide Q , (+)-Pachyclavulariolide Q ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00044994 Pachyclavulariolide R
(-)-Pachyclavulariolide R		 96.30
C00044992 Pachyclavulariolide P
(-)-Pachyclavulariolide P		 96.15
C00044990 Pachyclavulariolide N
(-)-Pachyclavulariolide N		 94.23
C00044991 Pachyclavulariolide O
(-)-Pachyclavulariolide O		 94.23
C00047218 Durumhemiketalolide A
(+)-Durumhemiketalolide A		 92.31
C00012028 Zinaflavin A 90.74
C00040136 Querciformolide D
(-)-Querciformolide D		 90.74
C00040309 Sinulaflexiolide B
(+)-Sinulaflexiolide B		 90.74
C00040317 Sinulariolone
(-)-Sinulariolone		 90.74
C00011847 Eupachifolin A 90.57
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 90.57
C00012057 Zinaflavin H 90.57
C00012196 (-)-Ursiniolide D
Ursiniolide D		 90.57
C00012399 Zinangustolide 90.57
C00043001 Sinularolide A
(+)-Sinularolide A		 90.57
C00003215 Arctiopicrin 90.38
C00003339 Nobilin 90.38
C00003341 Onopordopicrin 90.38
C00011848 1(10)E-Millerenolide 90.38
C00011981 Zinarosin 90.38
C00011983 [3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid 90.38
C00012056 Zinaflavin G 90.38
C00012103 Deltoidin A 90.38
C00038695 Capillolide
(+)-Capillolide		 90.38
C00038969 Dendronpholide C
(-)-Dendronpholide C		 90.38
C00041651 Manaarenolide C
(-)-Manaarenolide C		 90.38
C00041652 Manaarenolide D
(-)-Manaarenolide D		 90.38
C00049404 Tomenphantin A 90.38
C00050100 Flexibolide
(+)-Flexibolide		 90.38
C00011782 Mollisorin B 88.89
C00011806 9-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 88.89
C00012027 (+)-Zinaflavin B
Zinaflavin B		 88.89
C00012082 Euperfolin 88.89
C00020505 Epicentaurepensin
Linichlorin B		 88.89
C00039365 Helivypolide D 88.89
C00003334 Molephantinin 88.68
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 88.68
C00012213 Germanin A 88.68
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 88.68
C00012276 Linearilobin F 88.68
C00023191 8beta-Tigloyloxy-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4E-11(13)-trien-6,12-olide 88.68
C00033836 Estafiatin 8-O-isovalerate 88.68
C00040311 Sinulaflexiolide D
(+)-Sinulaflexiolide D		 88.68
C00003243 Cynaropicrin 88.46
C00003333 Molephantin 88.46
C00003366 Saupirin
sauparine		 88.46
C00003421 7beta,12alpha-Dihydroxykaurenolide 88.46
C00011780 Mollisorin A 88.46
C00011798 3-Epinobilin 88.46
C00011800 3-Dehydronobilin 88.46
C00011816 8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide 88.46
C00011887 Tagitinin D
Tirotundin		 88.46
C00011982 [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 88.46
C00012063 [1R-[1R*,4R*,6R*,7R*(Z),8R*,11R*]]-8-(1-Hydroxy-1-methylethyl)-4,11-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodec-7-yl ester 2-methyl-2-butenoic acid 88.46
C00012979 Chapinolin
[3aR-[3aalpha,4alpha(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 88.46
C00012983 Arturin
[3aR-[3aalpha,4beta(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 88.46
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		 88.46
C00020525 9beta-Hydroxy-8beta-tiglinoyloxy-lasiolaenin 88.46
C00022292 18-Acetoxy-6-oxogrindelic acid 88.46
C00022461 6beta,7beta,9alpha-Trihydroxy-8,13-epoxy-labd-14-en-11-one 88.46
C00022606 11beta,13-Dihydroarbutifolin 88.46
C00029909 Carlaolide A
(-)-Carlaolide A		 88.46
C00030468 Hemistepsin 88.46
C00040318 Sinularolide B
(-)-Sinularolide B		 88.46
C00041458 Crassocolide D
(+)-Crassocolide D		 88.46
C00042093 2beta-Acetoxy-3alpha-hydroxy-1(15),8(19)-trinervitadiene 88.46
C00045623 Aikupikoxide D
(+)-Aikupikoxide D		 88.46
C00050060 Dihydroflexibilolide
(-)-Dihydroflexibilolide		 88.46
C00050099 Flexibilolide
(-)-Flexibilolide		 88.46
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