Mol:FL7AAHGO0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -2.5525 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5525 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5525 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5525 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8380 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8380 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1236 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1236 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1236 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1236 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8380 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8380 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4091 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4091 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3054 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3054 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3054 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3054 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4091 0.4817 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.4091 0.4817 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 1.0196 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7478 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7478 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4760 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4760 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4760 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4760 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7478 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7478 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0196 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2667 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2667 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2667 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2667 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8380 -1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8380 -1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1405 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1405 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2039 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2039 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8598 -2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8598 -2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5474 -2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5474 -2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3292 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3292 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5474 -1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5474 -1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8598 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8598 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0779 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0779 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1162 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1162 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9212 -3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9212 -3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4333 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4333 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8651 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8651 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7478 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7478 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3147 3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3147 3.7433 0.0000 C 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 36 | + | M SBL 1 1 36 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 36 0.0000 -0.8481 | + | M SBV 1 36 0.0000 -0.8481 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAHGS0002 | + | ID FL7AAHGS0002 |
− | FORMULA C22H23O11 | + | FORMULA C22H23O11 |
− | EXACTMASS 463.124036578 | + | EXACTMASS 463.124036578 |
− | AVERAGEMASS 463.41142 | + | AVERAGEMASS 463.41142 |
− | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c2)c([o+1]c(c3)c(c(O)cc(O)3)2)c(c1)cc(OC)c(O)c(O)1 | + | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c2)c([o+1]c(c3)c(c(O)cc(O)3)2)c(c1)cc(OC)c(O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.5525 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 0.4817 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0196 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 -3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 3.7433 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 13 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 20 1 0 0 0 0 32 33 1 0 0 0 0 15 32 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 0.0000 -0.8481 S SKP 5 ID FL7AAHGS0002 FORMULA C22H23O11 EXACTMASS 463.124036578 AVERAGEMASS 463.41142 SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c2)c([o+1]c(c3)c(c(O)cc(O)3)2)c(c1)cc(OC)c(O)c(O)1 M END