Mol:FL7DACGO0003
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -4.1912 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1912 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1912 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1912 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4767 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4767 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7622 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7622 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7622 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7622 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4767 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4767 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0476 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0476 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0476 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -2.0476 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6188 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6188 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1095 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1095 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8377 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8377 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8377 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8377 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1095 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1095 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6188 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6188 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5658 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5658 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9055 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9055 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4767 -2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4767 -2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1095 2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1095 2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6602 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6602 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0635 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0635 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7320 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7320 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2145 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2145 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8113 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8113 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1428 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1428 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0664 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0664 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8535 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8535 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1283 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1283 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2618 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2618 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9055 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9055 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2577 -0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2577 -0.7026 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7DACGS0003 | + | ID FL7DACGS0003 |
| − | FORMULA C21H19O11 | + | FORMULA C21H19O11 |
| − | EXACTMASS 447.09273645 | + | EXACTMASS 447.09273645 |
| − | AVERAGEMASS 447.36896 | + | AVERAGEMASS 447.36896 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(cc(c(c4)[o+1]c(c(c4)3)cc(cc3O)O)c2)O)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(cc(c(c4)[o+1]c(c(c4)3)cc(cc3O)O)c2)O)O1)O)O |
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
-4.1912 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1912 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4767 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4767 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0476 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0476 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.6188 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6188 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5658 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9055 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4767 -2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6602 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0635 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8113 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0664 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8535 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1283 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2618 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9055 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2577 -0.7026 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 17 1 0 0 0 0
24 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7DACGS0003
FORMULA C21H19O11
EXACTMASS 447.09273645
AVERAGEMASS 447.36896
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(cc(c(c4)[o+1]c(c(c4)3)cc(cc3O)O)c2)O)O1)O)O
M END
