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


and

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





INPUT WORD = C00020802 , 50% or more
[ Metabolite Name : [3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020800 Vernudifloride 98.00
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate
96.00
C00020521 Diaspanolide A 94.00
C00020801 [3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 94.00
C00020824 8alpha-Isovaleryloxyeremanthine 94.00
C00020479 Angeloylcumambrin B 92.31
C00038458 Annuolide F 92.31
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 92.00
C00044990 Pachyclavulariolide N
(-)-Pachyclavulariolide N
92.00
C00044991 Pachyclavulariolide O
(-)-Pachyclavulariolide O
92.00
C00045463 Zaluzanin C isovalerate
(+)-Zaluzanin C isovalerate
92.00
C00020525 9beta-Hydroxy-8beta-tiglinoyloxy-lasiolaenin 90.38
C00020794 [3aR-[3aalpha,4beta(E),6aalpha,9aalpha,9bbeta]]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 4-hydroxy-2-methyl-2-butenoic acid 90.38
C00020806 Ferulide 90.38
C00020943 [3R-(3alpha,3aalpha,4alpha,4abeta,7abeta,8alpha,9aalpha)]-2,3,3a,4,4a,7,7a,8,9,9a-Decahydro-3,5,8-trimethyl-2,7-dioxoazuleno[6,5-b]furan-4-yl ester 3-methyl-2-butenoic acid 90.38
C00011780 Mollisorin A 90.20
C00012830 [2R-[2alpha,4aalpha,5beta(Z),8abeta]]-Decahydro-4a-methyl-alpha,8-bis(methylene)-5-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 90.00
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 90.00
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 90.00
C00013052 8alpha-Isovaleryloxygazaniolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-2,3,3a,4,5,5a,9a,9b-Octahydro-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-methylbutanoic acid
90.00
C00020511 Aguerin A 90.00
C00020512 Aguerin B 90.00
C00020729 Prutenin 90.00
C00020798 Subexpinnatin 90.00
C00021702 9beta-Isovaleryloxy costunolide 90.00
C00023449 1(10),13E-Halimadiene-15,18-dioic acid 90.00
C00041458 Crassocolide D
(+)-Crassocolide D
90.00
C00045156 15-Isovaleroyloxycostunolide 90.00
C00049965 8beta-Isobutyryloxycumambranolide
(-)-8beta-Isobutyryloxycumambranolide
90.00
C00020481 Hydrobahia III 88.89
C00033933 Hydruntinolide A
(-)-Hydruntinolide A
88.89
C00039375 Hispitolide D 88.89
C00012874 Pulchellin F
[3aR-[3aalpha,4aalpha,6beta,7alpha(Z),8abeta,9aalpha]]-Dodecahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-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
C00013008 (-)-Isolasolide
Isolasolide
[3S-[3alpha(Z),3aalpha,5aalpha,6alpha,9abeta,9balpha]]-2,3,3a,4,5,5a,6,7,9a,9b-Decahydro-6-hydroxy-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid
88.46
C00021126 6-O-Senecioylplenolin 88.46
C00033593 8alpha-Angeloyloxydouglanin 88.46
C00033596 8alpha-Tigloyloxydouglanin 88.46
C00034083 Notoserolide B
-O-Senecioylaustricin
88.46
C00003339 Nobilin 88.24
C00011977 Isoarbutifolin 88.24
C00003187 Shiromodiol diacetate 88.00
C00012174 Hallerin 88.00
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
88.00
C00017418 [4S-(4alpha,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-butenoic acid 88.00
C00021128 Arnicolide C 88.00
C00021129 Arnicolide D 88.00
C00021347 8-Angeloyloxy-14-thapsanol 88.00
C00021348 8-Senecioyloxy-14-thapsanol 88.00
C00021686 Salonitenolide 8-O-angelate 88.00
C00021701 9beta-(2-Methyl butyryloxy)-costunolide 88.00
C00022074 (E,Z,E,Z)-6-Formyl-2,10,14-trimethyl-2,6,10,14-hexadecatetraenedioic acid 88.00
C00023451 1(10),13Z-Halimadiene-15,18-dioic acid 88.00
C00033595 8alpha-Isobutyryloxydouglanin 88.00
C00034402 8alpha-Angeloyloxytannunolide 88.00
C00035580 Dictyol B 88.00
C00038290 5-Dehydrosinularolide 88.00
C00040316 Sinulariolide 88.00
C00042722 Mayolide A 88.00
C00045294 Dunniana acid A
(+)-Dunniana acid A
88.00
C00045462 Zaluzanin C isobutyrate
(+)-Zaluzanin C isobutyrate
88.00
C00047064 Lobohedleolide
(+)-Lobohedleolide
88.00
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