"Twins" retrives similar metabolites in chemical structure.
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"Twins" retrives similar metabolites in chemical structure. |
| last update : 2020.01.06 |
| INPUT WORD = C00013197 , 50% or more |
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| [ Metabolite Name : Ivangulinic acid , [3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid ] | |
| Number of matched data : 58 | |
| CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
|---|---|---|---|---|
| C00003296 | Granilin |  |
95.00 | C00040346 | Spicatolide H (+)-Spicatolide H |
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95.00 | C00012730 | [2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid 1beta,9beta-Dihydroxycostic acid |
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94.87 | C00021696 | Asperilin |  |
94.87 | C00012945 | Himeyoshin [1aR-(1aalpha,3alpha,3abeta,4abeta,7abeta,8aalpha,8balpha)]-Octahydro-3,8a-dimethyl-5-methyleneoxireno[7,8]naphtho[2,3-b]furan-2,6(1aH,3H)-dione |
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92.68 | C00011995 | Epoxyzinamultifloride |  |
92.50 | C00012008 | Elemanschkuhriolide |  |
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 | C00012882 | [3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one Dihydroxyalloalantolactone |
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92.50 | C00012960 | (+)-Armefolin Armefolin [3aS-(3aalpha,5abeta,6beta,8alpha,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-6,8-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012963 | Ludovicin B [3aS-(3aalpha,5abeta,6alpha,8alpha,9aalpha,9bbeta)]-Decahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012964 | Erivanin [3S-(3alpha,3aalpha,5abeta,6alpha,8alpha,9aalpha,9bbeta)]-Decahydro-6,8-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012965 | 1-Epierivanin (11S)-1beta,3alpha,6alpha-trihydroxyeudesm-4(14)-en-12-oic acid gamma-lactone |
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92.50 | C00012966 | (+)-Ridentin B Ridentin B |
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92.50 | C00012967 | Tanacetin [3aS-(3aalpha,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012968 | Arsubin [3R-(3alpha,3abeta,5aalpha,6alpha,9abeta,9balpha)]-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012969 | Artemine 11S-Artemin Artemin (sesquiterpene) [3S-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012970 | (-)-Isogallicadiol Isogallicadiol [3S-(3alpha,3aalpha,5abeta,6beta,9abeta,9bbeta)]-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012971 | 1-Epiartemin [3S-(3alpha,3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00012989 | [3aS-(3aalpha,5beta,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-5,6-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one |  |
92.50 | C00013000 | Alhanol Isoerivanin [3S-(3alpha,3aalpha,5abeta,6alpha,8alpha,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-6,8-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one |
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92.50 | C00013012 | [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6-hydroxy-9-(hydroxymethyl)-5a-methyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one |  |
92.50 | C00013016 | Sonchucarpolide [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Dodecahydro-6-hydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-carboxaldehyde |
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92.50 | C00013065 | Arsantin [3S-(3alpha,3aalpha,5abeta,6alpha,9alpha,9aalpha,9bbeta)]-Octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione |
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92.50 | C00013066 | (11S)-Arsanin Arsanin Taraxacolide [3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione |
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92.50 | C00013067 | (+)-Artecalin [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione |
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92.50 | C00013068 | Arabsin [3R-(3alpha,3abeta,5aalpha,6alpha,9beta,9abeta,9balpha)]-Octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione |
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92.50 | C00020519 | 9alpha-Hydroxyzaluzalin C |  |
92.50 | C00021065 | Pulchellin A |  |
92.50 | C00021067 | 4-Epipulchellin |  |
92.50 | C00021068 | Neopulchellin |  |
92.50 | C00021106 | 10alpha-Chloro-1beta-hydroxyeremophil-11(13)-en-12,8beta-olide |  |
92.50 | C00021200 | Themoidin |  |
92.50 | C00021201 | Psilotropin |  |
92.50 | C00021202 | Dihydrovermeerin A |  |
92.50 | C00022680 | 5beta-Hydroxyasperilin |  |
92.50 | C00011758 | (+)-Herbolide F Herbolide F |
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92.31 | C00011767 | Dihydroridentin 1,3-Dihydroxy-4,10(14)-germacradien-12,6-olide |
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92.31 | C00011770 | Pulverulide |  |
92.31 | C00011817 | Shonachalin C |  |
92.31 | C00012382 | Frutescinic acid |  |
92.31 | C00012829 | [2R-(2alpha,4aalpha,5beta,8abeta)]-Decahydro-5-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid |  |
92.31 | C00012832 | Decahydro-5-hydroxy-alpha,4a-dimethyl-8-methylene-2-naphthaleneacetic acid 1lapha-Hydroxy-4(15)-eudesmen-12-oic acid |
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92.31 | C00012894 | 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 |
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92.31 | C00012911 | Ivangustin |  |
92.31 | 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 |
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92.31 | 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 |
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92.31 | 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 |  |
92.31 | 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 |
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92.31 | 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 |
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92.31 | 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 |
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92.31 | C00013040 | (+)-Reynosin Reinosin Reynosin |
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92.31 | 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 |
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92.31 | C00013211 | (+)-Umbellifolide Umbellifolide [3aR-(3aalpha,6alpha,7aalpha)]-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione |
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92.31 | C00016960 | Ratibinolide Ratibinolide I |
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92.31 | C00020606 | Estafiatin |  |
92.31 | C00020734 | 3alpha,4alpha-Epoxy-11betaH-guaia-10(14)-en-6alpha,12-olide |  |
92.31 | C00034363 | 11alpha,13-Dihydroreynosin 11-epi-Dihydroreynosin |
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92.31 |