Mol:FL3FF9GS0002
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 |
| − | -1.5490 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5490 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5490 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5490 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8479 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8479 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1467 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1467 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1467 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1467 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8479 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8479 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5545 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5545 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2556 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2556 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2556 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2556 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5545 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5545 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5545 -3.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5545 -3.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9565 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9565 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6709 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6709 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3855 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3855 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3855 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3855 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6709 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6709 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9565 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9565 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2498 -1.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2498 -1.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8479 -3.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8479 -3.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8596 -0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8596 -0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5022 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9201 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9201 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1371 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1371 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6772 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6772 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2205 1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2205 1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2354 2.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2354 2.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3855 2.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3855 2.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1224 -0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1224 -0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1159 2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1159 2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8747 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8747 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5961 3.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5961 3.4242 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 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 |
| − | 26 30 1 0 0 0 0 | + | 26 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 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 35 -0.1045 -1.0898 | + | M SBV 1 35 -0.1045 -1.0898 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF9GS0002 | + | ID FL3FF9GS0002 |
| − | FORMULA C21H18O11 | + | FORMULA C21H18O11 |
| − | EXACTMASS 446.084911418 | + | EXACTMASS 446.084911418 |
| − | AVERAGEMASS 446.36102 | + | AVERAGEMASS 446.36102 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)cccc3)O2)1)O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)cccc3)O2)1)O)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
-1.5490 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5490 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1467 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1467 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 -2.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 -3.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9565 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6709 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3855 -1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3855 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6709 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9565 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2498 -1.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 -3.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8596 -0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9201 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1371 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6772 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2205 1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2354 2.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3855 2.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1224 -0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1159 2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5961 3.4242 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
3 19 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
20 24 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 COOH
M SBV 1 35 -0.1045 -1.0898
S SKP 5
ID FL3FF9GS0002
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)cccc3)O2)1)O)O)O
M END
