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


and

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




INPUT WORD = C00044992 , 50% or more
[ Metabolite Name : Pachyclavulariolide P , (-)-Pachyclavulariolide P ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00044993 Pachyclavulariolide Q
(+)-Pachyclavulariolide Q		 96.15
C00044994 Pachyclavulariolide R
(-)-Pachyclavulariolide R		 92.59
C00003215 Arctiopicrin 90.38
C00003341 Onopordopicrin 90.38
C00012103 Deltoidin A 90.38
C00042093 2beta-Acetoxy-3alpha-hydroxy-1(15),8(19)-trinervitadiene 90.38
C00044990 Pachyclavulariolide N
(-)-Pachyclavulariolide N		 90.38
C00044991 Pachyclavulariolide O
(-)-Pachyclavulariolide O		 90.38
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
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
C00020525 9beta-Hydroxy-8beta-tiglinoyloxy-lasiolaenin 88.46
C00022121 (E,Z,E)-1,16-Dihydroxy-3,11-bis(hydroxymethyl)-15-methyl-7-methylene-2,10,14-hexadecatrien-6-one 88.46
C00029307 (+)-Sarcophine
Sarcophine		 88.46
C00041458 Crassocolide D
(+)-Crassocolide D		 88.46
C00041651 Manaarenolide C
(-)-Manaarenolide C		 88.46
C00041652 Manaarenolide D
(-)-Manaarenolide D		 88.46
C00047218 Durumhemiketalolide A
(+)-Durumhemiketalolide A		 88.46
C00003232 (+)-Cnicin
Cnicin		 87.27
C00011785 Ursiniolide C 87.04
C00011874 Deltoidin B 87.04
C00012028 Zinaflavin A 87.04
C00012104 Eupassopilin 87.04
C00040136 Querciformolide D
(-)-Querciformolide D		 87.04
C00040309 Sinulaflexiolide B
(+)-Sinulaflexiolide B		 87.04
C00040317 Sinulariolone
(-)-Sinulariolone		 87.04
C00011847 Eupachifolin A 86.79
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 86.79
C00011984 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]- 6-Ethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 86.79
C00011992 Zinaflorin V 86.79
C00012057 Zinaflavin H 86.79
C00012196 (-)-Ursiniolide D
Ursiniolide D		 86.79
C00012399 Zinangustolide 86.79
C00035425 Velutine C 86.79
C00043001 Sinularolide A
(+)-Sinularolide A		 86.79
C00003208 Alatolide 86.54
C00003339 Nobilin 86.54
C00003421 7beta,12alpha-Dihydroxykaurenolide 86.54
C00011820 Arbutifolin 86.54
C00011848 1(10)E-Millerenolide 86.54
C00011981 Zinarosin 86.54
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 86.54
C00012056 Zinaflavin G 86.54
C00012191 Deoxyrupatoripicrin
Desoxyrupatoripicrin		 86.54
C00012266 Pectorolide 86.54
C00012339 Gochnatolide 86.54
C00012867 beta-Cyclotanacin
Chrysanin
Taxillin
[3aR-[3aalpha,4alpha(Z),4aalpha,8beta,8abeta,9abeta]]-Dodecahydro-8-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 86.54
C00020815 Shairidin 86.54
C00022276 6alpha-Hydroxygrindelic acid 86.54
C00022277 6beta-Hydroxygrindelic acid 86.54
C00023362 Andrographolide 86.54
C00038695 Capillolide
(+)-Capillolide		 86.54
C00038969 Dendronpholide C
(-)-Dendronpholide C		 86.54
C00040319 Sinularolide C
(-)-Sinularolide C		 86.54
C00041336 Andropanolide
(-)-Andropanolide		 86.54
C00042547 Gelomulide C 86.54
C00045585 7,8-Oxido-isoxeniolide A
(+)-7,8-Oxido-isoxeniolide A		 86.54
C00045602 9-Hydroxyxeniolide F 86.54
C00048698 Durumolide E
(+)-Durumolide E		 86.54
C00048995 Hypoestene
(-)-Hypoestene		 86.54
C00049404 Tomenphantin A 86.54
C00049688 (-)-Isomuronic acid 86.54
C00050089 epi-Norcembrene 86.54
C00050100 Flexibolide
(+)-Flexibolide		 86.54
C00050234 Sinuflexolide
(-)-Sinuflexolide		 86.54
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