Mol:FL5FAGGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3600 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3600 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3600 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3600 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6588 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6588 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6588 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6588 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2563 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2563 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5551 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5551 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5551 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5551 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2563 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2563 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2563 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2563 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1458 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1458 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8605 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8605 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5751 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5751 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5751 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5751 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8605 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8605 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1458 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1458 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0610 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0610 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2618 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2618 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5795 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5795 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0910 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0910 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0305 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0305 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9759 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9759 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4647 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4647 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5249 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5249 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7881 -1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7881 -1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9697 -0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9697 -0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0610 -1.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0610 -1.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2897 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2897 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6588 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6588 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8605 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8605 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2897 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2897 -0.2297 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0003 | + | ID FL5FAGGS0003 |
| − | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
| − | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
| − | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
| − | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 | + | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.3600 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3600 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6588 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6588 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5551 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5551 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8605 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8605 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0610 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0910 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9759 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4647 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5249 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9697 -0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0610 -1.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2897 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6588 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8605 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2897 -0.2297 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
14 32 1 0 0 0 0
S SKP 5
ID FL5FAGGS0003
FORMULA C20H18O12
EXACTMASS 450.07982604
AVERAGEMASS 450.34972
SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1
M END
