Mol:FL2FA9NC0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 48 0 0 0 0 0 0 0 0999 V2000 | + | 43 48 0 0 0 0 0 0 0 0999 V2000 |
− | -3.3682 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3682 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3682 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3682 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8856 -2.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8856 -2.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4030 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4030 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4030 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4030 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8856 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8856 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9208 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9208 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8856 -2.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8856 -2.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4397 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4397 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9573 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9573 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4748 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4748 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4748 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4748 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9573 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9573 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4397 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4397 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1265 -1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1265 -1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9573 -0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9573 -0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2687 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2522 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2522 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7730 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7730 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7730 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7730 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2522 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2522 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2687 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2522 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2522 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7891 1.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7891 1.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2522 1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2522 1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2457 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2457 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2457 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2457 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7652 2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2847 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2847 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2847 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2847 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7652 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2090 2.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2090 2.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2939 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2939 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8148 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8148 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8148 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8148 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2939 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2939 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3352 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3352 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8517 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8517 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3682 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3682 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3682 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3682 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8517 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8517 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3352 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3352 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2939 -0.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2939 -0.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
− | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
− | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
− | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
− | 33 43 2 0 0 0 0 | + | 33 43 2 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NC0004 | + | ID FL2FA9NC0004 |
− | KNApSAcK_ID C00008374 | + | KNApSAcK_ID C00008374 |
− | NAME Uvarinol | + | NAME Uvarinol |
− | CAS_RN 66754-55-0 | + | CAS_RN 66754-55-0 |
− | FORMULA C36H30O7 | + | FORMULA C36H30O7 |
− | EXACTMASS 574.199153314 | + | EXACTMASS 574.199153314 |
− | AVERAGEMASS 574.6192 | + | AVERAGEMASS 574.6192 |
− | SMILES C(c(c5)c(O)ccc(Cc(c6)c(O)ccc6)5)c(c(O)3)c(c(Cc(c4)c(ccc4)O)c(c13)OC(c(c2)cccc2)CC1=O)O | + | SMILES C(c(c5)c(O)ccc(Cc(c6)c(O)ccc6)5)c(c(O)3)c(c(Cc(c4)c(ccc4)O)c(c13)OC(c(c2)cccc2)CC1=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 48 0 0 0 0 0 0 0 0999 V2000 -3.3682 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 -2.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 -2.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 -1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 1.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 2.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 -0.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 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 9 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 30 31 2 0 0 0 0 31 26 1 0 0 0 0 27 32 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 20 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 33 43 2 0 0 0 0 S SKP 8 ID FL2FA9NC0004 KNApSAcK_ID C00008374 NAME Uvarinol CAS_RN 66754-55-0 FORMULA C36H30O7 EXACTMASS 574.199153314 AVERAGEMASS 574.6192 SMILES C(c(c5)c(O)ccc(Cc(c6)c(O)ccc6)5)c(c(O)3)c(c(Cc(c4)c(ccc4)O)c(c13)OC(c(c2)cccc2)CC1=O)O M END