Mol:FL3FCACS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4443 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4443 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4443 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4443 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7437 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7437 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0432 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0432 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0432 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0432 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7437 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7437 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3427 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3427 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3579 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3579 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3579 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3579 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3427 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3427 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3427 -2.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3427 -2.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5585 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5585 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3211 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3211 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9976 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9976 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9889 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9889 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4055 0.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4055 0.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7895 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7895 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9517 2.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9517 2.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3842 2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3842 2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3634 0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3634 0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1014 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1014 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8882 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8882 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6748 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6748 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6748 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6748 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8882 1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8882 1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1014 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1014 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4606 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4606 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7437 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7437 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8310 -0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8310 -0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4606 0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4606 0.9293 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 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.3867 -0.5716 | + | M SBV 1 33 0.3867 -0.5716 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0002 | + | ID FL3FCACS0002 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES c(C(=O)4)(c(O)2)c(OC(=C4)c(c3)ccc(O)c3)c(c(c2)OC)C(C(O)1)OCC(O)C1O | + | SMILES c(C(=O)4)(c(O)2)c(OC(=C4)c(c3)ccc(O)c3)c(c(c2)OC)C(C(O)1)OCC(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.4443 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4443 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3427 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3579 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3579 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3427 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3427 -2.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5585 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9976 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 2.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1014 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1014 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4606 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8310 -0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4606 0.9293 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
9 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
24 27 1 0 0 0 0
3 28 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.3867 -0.5716
S SKP 5
ID FL3FCACS0002
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(C(=O)4)(c(O)2)c(OC(=C4)c(c3)ccc(O)c3)c(c(c2)OC)C(C(O)1)OCC(O)C1O
M END
