Mol:FL3FAADS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.3011 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3011 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3011 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3011 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5867 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5867 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8722 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8722 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8722 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8722 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5867 -0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5867 -0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1577 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1577 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4433 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4433 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4433 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4433 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1577 -0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1577 -0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1577 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1577 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0153 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0153 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5867 -2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5867 -2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6497 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6497 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1033 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1033 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8561 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8561 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8561 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8561 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1033 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1033 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6497 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6497 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6085 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6085 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3453 2.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3453 2.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1231 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1231 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7932 0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7932 0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7843 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7843 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1893 0.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1893 0.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5810 1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5810 1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5246 2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5246 2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1231 2.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1231 2.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1490 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1490 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7965 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7965 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4102 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4102 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1532 0.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1532 0.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9006 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9006 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2871 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2871 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5440 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5440 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1910 1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1910 1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9587 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9587 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0153 1.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0153 1.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1034 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1034 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1859 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1859 1.3476 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 31 20 1 0 0 0 0 | + | 31 20 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.4776 -0.4776 | + | M SBV 1 44 -0.4776 -0.4776 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0022 | + | ID FL3FAADS0022 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c4)c(ccc(OC(C(O)5)OCC(O)C5O)4)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O | + | SMILES c(c4)c(ccc(OC(C(O)5)OCC(O)C5O)4)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-4.3011 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3011 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5867 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8722 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8722 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5867 -0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 -2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 -0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0153 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5867 -2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1033 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1033 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6085 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3453 2.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1231 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7932 0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7843 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1893 0.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5246 2.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1231 2.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1490 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7965 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1532 0.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9006 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2871 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5440 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9587 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0153 1.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1034 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1859 1.3476 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
31 20 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.4776 -0.4776
S SKP 5
ID FL3FAADS0022
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c4)c(ccc(OC(C(O)5)OCC(O)C5O)4)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O
M END
