Mol:FL3FCACS0005
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 |
| − | -1.9194 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9194 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9194 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9194 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2049 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2049 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4905 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4905 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4905 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4905 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2049 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2049 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2240 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2240 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9384 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9384 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9384 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9384 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2240 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2240 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2049 -2.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2049 -2.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6584 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6584 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3376 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3376 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0166 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0166 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0166 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0166 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3376 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3376 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6584 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6584 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6956 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6956 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2240 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2240 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9506 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9506 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6939 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6939 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8816 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8816 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1925 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5096 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5096 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2517 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2517 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6956 1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6956 1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4023 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4023 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4659 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4659 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5850 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5850 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5993 0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5993 0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2669 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2669 1.4979 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 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 |
| − | 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 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.6799 -0.4311 | + | M SBV 1 34 0.6799 -0.4311 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0005 | + | ID FL3FCACS0005 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES C(=C4)(Oc(c(C4=O)2)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)c(c1)ccc(c1)O | + | SMILES C(=C4)(Oc(c(C4=O)2)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)c(c1)ccc(c1)O |
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
-1.9194 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9194 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4905 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4905 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 -2.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3376 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0166 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0166 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3376 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6956 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9506 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6939 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4023 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2669 1.4979 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
3 11 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
9 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
6 23 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.6799 -0.4311
S SKP 5
ID FL3FCACS0005
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES C(=C4)(Oc(c(C4=O)2)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)c(c1)ccc(c1)O
M END
