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


and

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




INPUT WORD = C00012894 , 50% or more
[ Metabolite Name : 1beta-Hydroxyalantolactone , [3aR-(3aalpha,5beta,8beta,8abeta,9aalpha)]-3a,5,6,7,8,8a,9,9a-Octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one ]
Number of matched data : 87

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021696 Asperilin 97.37
C00012829 [2R-(2alpha,4aalpha,5beta,8abeta)]-Decahydro-5-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid 94.74
C00012832 Decahydro-5-hydroxy-alpha,4a-dimethyl-8-methylene-2-naphthaleneacetic acid
1lapha-Hydroxy-4(15)-eudesmen-12-oic acid		 94.74
C00012895 2alpha-Hydroxy alantolactone 94.74
C00012896 2-Oxoalantolactone
[3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione		 94.74
C00012911 Ivangustin 94.74
C00012916 Telekin
Telekine
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-Decahydro-4a-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 94.74
C00012918 5-Epitelekin
[3aR-(3aalpha,4abeta,8abeta,9aalpha)]-Decahydro-4a-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 94.74
C00012931 [3R-(3alpha,3aalpha,4aalpha,5beta,6alpha,8abeta,9aalpha)]-Decahydro-6-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(3H)-one
3-Hydroxy-12,8-eudesmanolide		 94.74
C00013040 (+)-Reynosin
Reinosin
Reynosin		 94.74
C00013041 11betaH,13-Dihydroreynosin
Dihydroreynosin
[3S-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-6-hydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one		 94.74
C00020999 11beta,13-Dihydrozaluzanin C 94.74
C00021008 11alpha,13-Dihydrozaluzanin C 94.74
C00034363 11alpha,13-Dihydroreynosin
11-epi-Dihydroreynosin		 94.74
C00003296 Granilin 92.50
C00012875 [3aR-(3aalpha,4aalpha,5alpha,8alpha,8abeta,9aalpha)]-Decahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 92.50
C00021106 10alpha-Chloro-1beta-hydroxyeremophil-11(13)-en-12,8beta-olide 92.50
C00012730 [2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
1beta,9beta-Dihydroxycostic acid		 92.31
C00013197 Ivangulinic acid
[3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid		 92.31
C00016960 Ratibinolide
Ratibinolide I		 92.31
C00020606 Estafiatin 92.31
C00020613 4,5-Epoxyosmitopsin 92.31
C00020734 3alpha,4alpha-Epoxy-11betaH-guaia-10(14)-en-6alpha,12-olide 92.31
C00003254 Encelin 92.11
C00003306 Isoalantolactone
Isoallantolactone
Isohelenin		 92.11
C00003397 Zaluzanin C 92.11
C00012022 [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone 92.11
C00012175 [3S-(3R*,3aR*,10E,11aR*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 92.11
C00012177 Gallicin 92.11
C00012178 [3R-(3R*,3aS*,10E,11aS*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 92.11
C00012209 gamma-Lacton 3,6alpha-dihydroxy-4betaH-Germacr-1(10)-en-12-oic acid
Hydroxypelenolide		 92.11
C00012210 Ketopelenolide A
Oxopelenolide a		 92.11
C00012728 [2S-(2alpha,4alpha,4aalpha,8abeta)]-Decahydro-4-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid
9beta-Hydroxycostic acid		 92.11
C00012731 Viscic acid
3alpha-Hydroxycostic acid
[2R-(2alpha,4aalpha,7beta,8abeta)]-Decahydro-7-hydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid		 92.11
C00012831 [2R-(2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-a,8-bis(methylene)-5-oxo-2-naphthaleneacetic acid
1-Oxo-4(15),11(13)-eudesmadien-12-oic acid		 92.11
C00012852 Ilicic acid
Vachanic acid		 92.11
C00012878 [3R-(3alpha,3aalpha,4abeta,8aalpha,9aalpha)]-Decahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
Dihydroallitrisin		 92.11
C00012892 Neoalantolactone 92.11
C00012893 (+)-Alantolactone
Alant camphor
Elecampane camphor
Eupatal
Inula camphor
Alantolactone		 92.11
C00012913 (+)-Isotelekin
Isotelekin		 92.11
C00012914 Septuplinolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-Decahydro-5-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 92.11
C00012928 [3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one 92.11
C00012930 [3aR-(3aalpha,8abeta,9aalpha)]-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde
Isoinunal		 92.11
C00012941 [3aS-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
3-Oxodiplophyllin		 92.11
C00012946 [4aS-(4aalpha,5alpha,8abeta,9abeta)]-4a,6,7,8a,9,9a-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-2,8(4H,5H)-dione 92.11
C00013045 (+)-Oxyfrullanolide
Oxyfrullanolide		 92.11
C00013080 alpha-Tetrahydro-alpha-santonin
alpha-Tetrahydrosantonin
Artepaulin
[3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 92.11
C00013081 Barrelierin
Gracilin
Taurin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,7,8,9b-Hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 92.11
C00013082 Finitin
[3S-(3alpha,3aalpha,5abeta,9balpha)]-3a,5,5a,7,8,9b-Hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 92.11
C00013574 13-Deoxyisoonoceriolide
[3aR-(3aalpha,4abeta,5abeta,6abeta,6balpha,7aalpha)]-Decahydro-6b-methyl-3,5-bis(methylene)cycloprop[2,3]indeno[5,6-b]furan-2(3H)-one		 92.11
C00013579 Geigeranolide
(3aR,4aR,4bR,5aR,6aR,7aR)-Decahydro-4b,6a-dimethyl-3-methylenecycloprop[1,2]indeno[5,6-b]furan-2(3H)-one		 92.11
C00013582 11beta,13-Dihydrogeigeranolode
[3R-(3alpha,3aalpha,4aalpha,4bbeta,5abeta,6abeta,7aalpha)]-Decahydro-3,4b,6a-trimethylcycloprop[1,2]indeno[5,6-b]furan-2(3H)-one		 92.11
C00016961 Shizukanolide
Shizukanolide A		 92.11
C00016968 1beta,10beta-Epoxyeremophil-11(13)-en-12-oic acid 92.11
C00017332 [3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 92.11
C00020722 4alpha-Hydroxyguaia-10(14),11(13)-dien-12,6a-olide 92.11
C00020723 Compressanolide 92.11
C00020837 Eregoyazin 92.11
C00020838 Glabellin 92.11
C00020839 Dihydroestafiatone 92.11
C00020922 10alpha,14H-1-epi-Inuviscolide 92.11
C00020925 [3aR-(3aalpha,5alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one 92.11
C00020934 1-EpiInuviscolide 92.11
C00020935 Inuviscolide 92.11
C00020937 8-Epiinuviscolide 92.11
C00020938 4,8-Dipiinuviscolide 92.11
C00020996 [3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-Decahydro-6-hydroxy-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one 92.11
C00020998 [3aR-(3aalpha,4aalpha,7aalpha,9abeta)]-Octahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2,6(3H,4H)-dione 92.11
C00021000 3-3-Epizaluzanin C 92.11
C00021009 4beta,14-Dihydrozaluzanin C 92.11
C00021010 3beta-Hydroxy-4beta,15,11a,13-tetrahydrodehydrocostuslactone 92.11
C00021013 5,10-bis-epi-Isoalantolactone 92.11
C00021101 [3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 92.11
C00021140 Dihydroconfertin 92.11
C00021697 8-epi-Ivangustin 92.11
C00021706 1beta,10alpha-Epoxy-1,10-H-cis-inunolide 92.11
C00021713 1-Hydroxymirabolide 92.11
C00022674 14-Hydroxy-desoxyivangustin 92.11
C00029488 3beta-Chlorodehydrocostuslactone 92.11
C00034365 11-epi-Artesin 92.11
C00036562 3-Oxoisocostic acid 92.11
C00038288 5-Bromo-2,3-dihydroxy-6-methoxybenzaldehyde 92.11
C00044955 Neolitacumone B
(+)-Neolitacumone B		 92.11
C00045508 11alpha,13-Dihydroalantolactone
(-)-11alpha,13-Dihydroalantolactone		 92.11
C00045553 3,4-Epoxy-11alpha,13-dihydroelemen-12,8-olide
(+)-3,4-Epoxy-11alpha,13-dihydroelemen-12,8-olide		 92.11
C00045554 3,4-Epoxy-5,10-epi-elemasteriractinolide 92.11
C00046478 Tubipolide D
(-)-Tubipolide D		 92.11
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