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


and

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




INPUT WORD = C00012904 , 50% or more
[ Metabolite Name : [4aR-[4aalpha,5alpha,6alpha(2S*,3R*),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012907 [4S-[4alpha,4abeta,5beta,6beta(2R*,3S*),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-4,5-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid 94.55
C00012906 [4aR-[4aalpha,5alpha,6alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 92.45
C00012905 [4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester3-methylbutanoic acid 90.57
C00022288 Ballonigrinone 88.68
C00022392 Leonotin 88.68
C00041603 isoandrographolide 88.68
C00022217 Leonotinin 87.04
C00017322 [1aR-[1aalpha,4beta,4abeta,5beta(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 4-hydroxy-2-methyl-2-butenoic acid 86.79
C00017379 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 86.79
C00017388 1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 86.79
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane		 86.79
C00017428 17,18-Epoxy-17,18-dihydroneoadenostylon 86.79
C00022266 Peregrinin 86.79
C00022289 18-Hydroxyballonigrine 86.79
C00022329 Austrochaparol acetate 86.79
C00022391 Ballotinone
7-Oxomarrubiin		 86.79
C00038325 7R-Hydroxy-14-deoxyandrographolide 86.79
C00038326 7S-Hydroxy-14-deoxyandrographolide 86.79
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 86.79
C00039951 Perforaquassin A 85.45
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		 85.19
C00017734 Antibiotic MF 730N6
MF 730N6
Terpentecin
UCT 4A		 85.19
C00022315 5-Episophocarpine 85.19
C00022317 18-Oxoaustrochaparol acetate 85.19
C00023348 Preperegrinin 85.19
C00038003 Vitetrifolin B
(-)-Vitetrifolin B		 85.19
C00038004 Vitetrifolin C
(+)-Vitetrifolin C		 85.19
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 85.19
C00003452 Marrubiin 84.91
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 84.91
C00012696 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid		 84.91
C00012863 2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-7-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-8-yl ester 2-methylbutanoic acid 84.91
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		 84.91
C00013025 Badkhysinin
[3aS-[3aalpha,5abeta,6alpha(Z),6abeta,7abeta,8aalpha,8bbeta]]-Dodecahydro-5a-methyl-3,8-bis(methylene)-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 84.91
C00017309 [4S-[4alpha(E),4aalpha,5alpha,8beta,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 84.91
C00017311 [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 84.91
C00017312 [4S-[4alpha(Z),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 84.91
C00017354 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 84.91
C00017365 [4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid 84.91
C00017377 ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 84.91
C00017382 4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methylbutanoic acid 84.91
C00017385 4alpha-Hydroxy-6beta-(tiglinoyloxy)euryopsin 84.91
C00017387 1,10-Epoxy-4alpha-hydroxy-6beta-isovaleryloxyfuranoeremophilane 84.91
C00017407 [4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 84.91
C00017415 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid 84.91
C00017416 [4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid 84.91
C00017432 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid 84.91
C00020891 Deoxyarctolide 84.91
C00020893 Carolenin 84.91
C00020959 3-O-TigloylCarolenalin 84.91
C00022287 Ballonigrin
Ballonigrine		 84.91
C00022320 Polyalthic acid 84.91
C00022321 Lambertianic acid 84.91
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 84.91
C00022783 2alpha-Methoxy-3alpha,4alpha-epoxy-ent-cleroda-13(16),14-diene-15,16-oxide 84.91
C00023367 Isodihydroclutiolide 84.91
C00023394 ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione 84.91
C00035425 Velutine C 84.91
C00036662 8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide
(+)-8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide		 84.91
C00041242 14,15-Epoxy-xeniolide H
(+)-14,15-Epoxy-xeniolide H		 84.91
C00043602 Hypopurin C
(+)-Hypopurin C		 84.91
C00050100 Flexibolide
(+)-Flexibolide		 84.91
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