Mol:FL5FEAGS0021
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 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5142 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5142 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5142 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5142 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2287 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2287 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9432 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9432 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9432 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9432 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2287 3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2287 3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7998 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7998 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0854 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0854 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6291 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6291 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6291 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6291 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0854 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0854 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7998 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7998 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3435 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3435 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0580 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0580 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0580 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0580 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3435 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3435 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0854 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0854 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7725 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7725 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4774 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4774 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5438 3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5438 3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3435 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3435 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7242 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7242 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3894 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3894 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4328 -1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4328 -1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7178 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7178 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3577 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3577 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5354 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5354 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2503 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2503 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6690 -0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6690 -0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4795 -1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4795 -1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0550 -1.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0550 -1.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5559 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5559 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0217 -1.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 -1.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5701 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5701 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0048 -3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0048 -3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2047 -2.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2047 -2.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4133 -3.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4133 -3.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9358 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9358 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7787 -2.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7787 -2.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5438 -2.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5438 -2.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2295 -2.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2295 -2.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7413 -3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7413 -3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4297 -3.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4297 -3.7919 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 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 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0021 | + | ID FL5FEAGS0021 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES C(=C(OC(O4)C(C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)O)3)(Oc(c2C3=O)cc(O)c(O)c2O)c(c1)ccc(c1)O | + | SMILES C(=C(OC(O4)C(C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)O)3)(Oc(c2C3=O)cc(O)c(O)c2O)c(c1)ccc(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/
43 47 0 0 0 0 0 0 0 0999 V2000
1.5142 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5142 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2287 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2287 3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7998 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6291 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6291 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7998 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0580 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0580 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7725 2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4774 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5438 3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7242 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3894 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4328 -1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6690 -0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4795 -1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 -1.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5559 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0217 -1.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5701 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 -3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2047 -2.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4133 -3.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9358 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7787 -2.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5438 -2.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2295 -2.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 -3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 -3.7919 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
33 38 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 5
ID FL5FEAGS0021
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(=C(OC(O4)C(C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)O)3)(Oc(c2C3=O)cc(O)c(O)c2O)c(c1)ccc(c1)O
M END
