Mol:FL4DAANI0009
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
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− | 2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DAANI0009 | + | ID FL4DAANI0009 |
− | KNApSAcK_ID C00014384 | + | KNApSAcK_ID C00014384 |
− | NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone | + | NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone |
− | CAS_RN 174423-32-6 | + | CAS_RN 174423-32-6 |
− | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
− | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
− | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
− | SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C | + | SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -2.5154 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 2.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7495 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 -3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL4DAANI0009 KNApSAcK_ID C00014384 NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone CAS_RN 174423-32-6 FORMULA C30H36O6 EXACTMASS 492.251188884 AVERAGEMASS 492.60324 SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C M END