Mol:FL5FAGGS0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
− | -4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8480 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8480 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
− | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
− | 25 22 1 0 0 0 0 | + | 25 22 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAGGS0007 | + | ID FL5FAGGS0007 |
− | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
− | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
− | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
− | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)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/ 32 35 0 0 0 0 0 0 0 0999 V2000 -4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 24 30 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 25 22 1 0 0 0 0 S SKP 5 ID FL5FAGGS0007 FORMULA C20H18O12 EXACTMASS 450.07982604 AVERAGEMASS 450.34972 SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)O M END