Mol:FL7AAAGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9778 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9778 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9778 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9778 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2765 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2765 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5752 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5752 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5752 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5752 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2765 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2765 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8740 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8740 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1727 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1727 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1727 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1727 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8740 0.5956 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.8740 0.5956 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5283 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5283 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2430 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2430 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9578 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9578 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9578 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9578 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2430 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2430 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5283 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5283 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6723 1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6723 1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6788 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6788 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2765 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2765 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6200 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6200 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7936 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7936 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2446 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2446 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1899 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1899 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6788 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6788 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7390 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7390 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1761 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1761 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1066 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1066 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6183 0.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6183 0.2628 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 |
| − | 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 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 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGS0001 | + | ID FL7AAAGS0001 |
| − | FORMULA C20H19O9 | + | FORMULA C20H19O9 |
| − | EXACTMASS 403.10290720600005 | + | EXACTMASS 403.10290720600005 |
| − | AVERAGEMASS 403.35946 | + | AVERAGEMASS 403.35946 |
| − | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 | + | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.9778 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5752 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5752 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 0.5956 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5283 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2430 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2430 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6788 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7936 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2446 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1899 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6788 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1761 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1066 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6183 0.2628 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
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 20 1 0 0 0 0
20 8 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGS0001
FORMULA C20H19O9
EXACTMASS 403.10290720600005
AVERAGEMASS 403.35946
SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1
M END
