Mol:FL5FAAGS0004
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 |
| − | -2.9587 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9587 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9587 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9587 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2576 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2576 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5565 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5565 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5565 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5565 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2576 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2576 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8554 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8554 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1543 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1543 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1543 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1543 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8554 1.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8554 1.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8554 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8554 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5466 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5466 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2612 0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2612 0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9757 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9757 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9757 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9757 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2612 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2612 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5466 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5466 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6596 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6596 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2576 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2576 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6832 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6832 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8245 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8245 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1475 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1475 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9058 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9058 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4533 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4533 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1303 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1303 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3720 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3720 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2577 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2577 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6303 -1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6303 -1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6160 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6160 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6900 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6900 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2436 -1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2436 -1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6596 -2.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6596 -2.5035 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 |
| − | 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 |
| − | 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 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -0.7904 0.1739 | + | M SBV 1 35 -0.7904 0.1739 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0004 | + | ID FL5FAAGS0004 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O |
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
-2.9587 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9587 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5565 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5565 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8554 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1543 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1543 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8554 1.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8554 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5466 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2612 0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9757 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9757 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2612 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5466 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6596 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6832 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1475 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9058 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4533 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1303 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3720 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6303 -1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6160 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2436 -1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6596 -2.5035 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
21 22 1 0 0 0 0
22 23 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 20 1 0 0 0 0
20 8 1 0 0 0 0
15 30 1 0 0 0 0
24 23 1 1 0 0 0
31 32 1 0 0 0 0
24 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -0.7904 0.1739
S SKP 5
ID FL5FAAGS0004
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O
M END
