Mol:FL5FFAGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9921 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9921 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2776 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2776 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2776 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2776 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1513 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1513 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8657 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8657 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8657 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8657 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1513 -0.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1513 -0.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1513 -3.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1513 -3.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3081 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3081 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0362 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0362 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0362 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0362 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3081 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3081 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7063 -0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7063 -0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6040 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6040 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2776 -3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2776 -3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6582 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6582 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8126 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8126 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1780 1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1780 1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4933 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4933 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0912 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0912 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8812 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8812 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5663 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5663 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4821 2.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4821 2.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6582 2.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6582 2.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9405 0.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9405 0.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2776 0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2776 0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4097 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4097 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9395 3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9395 3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3502 2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3502 2.3008 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 25 1 0 0 0 0 | + | 31 25 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 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 32 33 34 | + | M SAL 1 3 32 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 37 -0.1566 -0.6636 | + | M SBV 1 37 -0.1566 -0.6636 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0008 | + | ID FL5FFAGS0008 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.9921 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8657 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8657 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 -0.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 -3.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0362 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0362 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7063 -0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 -3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6582 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8126 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1780 1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4933 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0912 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8812 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4821 2.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6582 2.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9405 0.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4097 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9395 3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3502 2.3008 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
6 31 1 0 0 0 0
31 25 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
27 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.1566 -0.6636
S SKP 5
ID FL5FFAGS0008
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)O)O
M END
