Mol:FL3FF8GS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1986 0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1986 0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1986 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1986 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5024 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5024 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2035 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2035 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2035 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2035 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5024 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5024 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6056 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6056 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6056 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6056 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3065 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3065 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0209 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0209 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7356 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7356 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7356 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7356 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0209 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0209 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3065 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3065 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9155 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9155 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5313 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5313 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5024 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5024 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8500 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8500 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2461 -0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2461 -0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5041 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5041 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6502 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6502 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2540 0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2540 0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9961 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9961 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5730 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5730 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0230 -0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0230 -0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7254 -0.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7254 -0.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5921 1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5921 1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7098 0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7098 0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7356 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7356 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1969 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1969 1.8669 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 3 31 32 33 | + | M SAL 1 3 31 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 36 0.7137 -0.6295 | + | M SBV 1 36 0.7137 -0.6295 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF8GS0006 | + | ID FL3FF8GS0006 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.1986 0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5024 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5024 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3065 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0209 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7356 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7356 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0209 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3065 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9155 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5024 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8500 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2461 -0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5041 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6502 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9961 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5730 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0230 -0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7254 -0.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5921 1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7098 0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7356 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1969 1.8669 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
18 1 1 0 0 0 0
6 19 1 0 0 0 0
3 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
24 18 1 0 0 0 0
17 30 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
26 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 31 32 33
M SBL 1 1 36
M SMT 1 ^COOH
M SBV 1 36 0.7137 -0.6295
S SKP 5
ID FL3FF8GS0006
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O
M END
