Mol:FL3FCBCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8333 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8333 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8333 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8333 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1498 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1498 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4663 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4663 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4663 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4663 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1498 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1498 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2173 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2173 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9008 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9008 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2173 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2173 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2173 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2173 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1498 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1498 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7360 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7360 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4563 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4563 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4563 1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4563 1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7360 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7360 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7023 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7023 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0688 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0688 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4353 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4353 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5737 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5737 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1819 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1819 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8661 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8661 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5146 0.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5146 0.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7742 -1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7742 -1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8292 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8292 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2722 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2722 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8865 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8865 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8964 1.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8964 1.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7742 1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7742 1.3359 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 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 32 0.4389 -0.7602 | + | M SBV 1 32 0.4389 -0.7602 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 34 -0.7199 -0.4157 | + | M SBV 2 34 -0.7199 -0.4157 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCBCS0001 | + | ID FL3FCBCS0001 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(c(C(O3)C(O)C(O)C(C3)O)c2OC)O)cc(OC)cc1 | + | SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(c(C(O3)C(O)C(O)C(C3)O)c2OC)O)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8333 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8333 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1498 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4663 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4663 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1498 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1498 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4563 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4563 1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7023 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0688 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4353 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8661 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5146 0.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7742 -1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8292 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2722 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8865 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8964 1.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7742 1.3359 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 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 22 1 0 0 0 0
28 29 1 0 0 0 0
1 28 1 0 0 0 0
30 31 1 0 0 0 0
16 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 ^ OCH3
M SBV 1 32 0.4389 -0.7602
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 34
M SMT 2 OCH3
M SBV 2 34 -0.7199 -0.4157
S SKP 5
ID FL3FCBCS0001
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(c(C(O3)C(O)C(O)C(C3)O)c2OC)O)cc(OC)cc1
M END
