Mol:FL3FA9GS0005
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 |
| − | 0.8609 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8609 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8609 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8609 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5620 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5620 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2631 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2631 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2631 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2631 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5620 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5620 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9643 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9643 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6654 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6654 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6654 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6654 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9643 -0.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9643 -0.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9643 -2.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9643 -2.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3662 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3662 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0807 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0807 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7953 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7953 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7953 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7953 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0807 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0807 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3662 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3662 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5620 -2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5620 -2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1601 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1601 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1199 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1199 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4701 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4701 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5343 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5343 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6313 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6313 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2874 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2874 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1061 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1061 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6695 0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6695 0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8119 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8119 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2549 -1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2549 -1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7904 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7904 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1278 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1278 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3361 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3361 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5873 0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5873 0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3361 1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3361 1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1278 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1278 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8766 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8766 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6113 0.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6113 0.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7864 2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7864 2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3141 2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3141 2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4225 1.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4225 1.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7953 0.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7953 0.4528 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 36 26 1 0 0 0 0 | + | 36 26 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9GS0005 | + | ID FL3FA9GS0005 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(c3c(O)5)OC(c(c4)cccc4)=CC3=O)2)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(c3c(O)5)OC(c(c4)cccc4)=CC3=O)2)O)C(C(O)C(O)1)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/
40 44 0 0 0 0 0 0 0 0999 V2000
0.8609 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8609 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2631 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2631 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6654 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6654 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -0.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -2.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3662 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0807 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7953 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7953 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0807 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3662 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 -2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1199 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4701 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5343 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6313 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2874 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1061 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6695 0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8119 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2549 -1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7904 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1278 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3361 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5873 0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3361 1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1278 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8766 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6113 0.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7864 2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4225 1.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7953 0.4528 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 19 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
31 36 1 0 0 0 0
36 26 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
35 39 1 0 0 0 0
30 40 1 0 0 0 0
S SKP 5
ID FL3FA9GS0005
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(c3c(O)5)OC(c(c4)cccc4)=CC3=O)2)O)C(C(O)C(O)1)O
M END
