Mol:FL7AACGL0090
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 78 85 0 0 0 0 0 0 0 0999 V2000 | + | 78 85 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.3820 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3820 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1485 5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1485 5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5769 4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5769 4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7659 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7659 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4870 0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4870 0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.2012 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2012 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.5330 0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5330 0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7432 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7432 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.1744 -0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1744 -0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2022 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2022 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8126 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8126 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8126 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8126 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0976 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0976 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0976 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0976 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8126 -4.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8126 -4.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5261 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5261 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5261 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5261 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8126 -5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8126 -5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1689 -1.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1689 -1.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7518 -2.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7518 -2.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7518 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7518 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4667 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4667 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6370 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6370 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0712 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0712 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1608 0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1608 0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0902 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0902 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8141 2.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8141 2.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6678 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6678 -4.1789 0.0000 C 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 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 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 |
| − | 5 10 1 0 0 0 0 | + | 5 10 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 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 26 1 1 0 0 0 | + | 20 26 1 1 0 0 0 |
| − | 21 27 1 1 0 0 0 | + | 21 27 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 40 1 1 0 0 0 | + | 34 40 1 1 0 0 0 |
| − | 35 41 1 1 0 0 0 | + | 35 41 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 48 54 1 0 0 0 0 | + | 48 54 1 0 0 0 0 |
| − | 30 55 2 0 0 0 0 | + | 30 55 2 0 0 0 0 |
| − | 30 56 1 0 0 0 0 | + | 30 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 58 63 1 0 0 0 0 | + | 58 63 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 3 65 1 0 0 0 0 | + | 3 65 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 68 74 1 1 0 0 0 | + | 68 74 1 1 0 0 0 |
| − | 69 75 1 1 0 0 0 | + | 69 75 1 1 0 0 0 |
| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 67 70 1 0 0 0 0 | + | 67 70 1 0 0 0 0 |
| − | 66 69 1 0 0 0 0 | + | 66 69 1 0 0 0 0 |
| − | 71 75 1 0 0 0 0 | + | 71 75 1 0 0 0 0 |
| − | 72 74 1 0 0 0 0 | + | 72 74 1 0 0 0 0 |
| − | 70 73 1 0 0 0 0 | + | 70 73 1 0 0 0 0 |
| − | 74 75 1 1 0 0 0 | + | 74 75 1 1 0 0 0 |
| − | 73 76 1 0 0 0 0 | + | 73 76 1 0 0 0 0 |
| − | 65 68 1 0 0 0 0 | + | 65 68 1 0 0 0 0 |
| − | 53 77 1 0 0 0 0 | + | 53 77 1 0 0 0 0 |
| − | 54 78 1 0 0 0 0 | + | 54 78 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0090 | + | ID FL7AACGL0090 |
| − | FORMULA C52H55O26 | + | FORMULA C52H55O26 |
| − | EXACTMASS 1095.298156932 | + | EXACTMASS 1095.298156932 |
| − | AVERAGEMASS 1095.9775 | + | AVERAGEMASS 1095.9775 |
| − | SMILES c([o+1]7)(c(c8)ccc(c8O)O)c(cc(c75)c(OC(C6O)OC(C(C6O)O)CO)cc(c5)O)OC(C2OC(O3)C(OC(C=Cc(c4)cc(OC)c(O)c(OC)4)=O)C(C(O)C3)O)OC(C(C(O)2)O)COC(=O)C=Cc(c1)ccc(O)c1 | + | SMILES c([o+1]7)(c(c8)ccc(c8O)O)c(cc(c75)c(OC(C6O)OC(C(C6O)O)CO)cc(c5)O)OC(C2OC(O3)C(OC(C=Cc(c4)cc(OC)c(O)c(OC)4)=O)C(C(O)C3)O)OC(C(C(O)2)O)COC(=O)C=Cc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
-2.1328 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1328 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 3.3553 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4336 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8620 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8620 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 4.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 3.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 0.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1736 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -1.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5742 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8757 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7991 -0.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 -1.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3820 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5769 4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7659 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4870 0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0260 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9798 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0137 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 10 1
S SKP 5
ID FL7AACGL0090
FORMULA C52H55O26
EXACTMASS 1095.298156932
AVERAGEMASS 1095.9775
SMILES c([o+1]7)(c(c8)ccc(c8O)O)c(cc(c75)c(OC(C6O)OC(C(C6O)O)CO)cc(c5)O)OC(C2OC(O3)C(OC(C=Cc(c4)cc(OC)c(O)c(OC)4)=O)C(C(O)C3)O)OC(C(C(O)2)O)COC(=O)C=Cc(c1)ccc(O)c1
M END
