Mol:FL3FEAGS0006
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 |
| − | -0.4984 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4984 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4984 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4984 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9037 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9037 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9037 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9037 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6048 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6048 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3059 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3059 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3059 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3059 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6048 0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6048 0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6048 -1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6048 -1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0068 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0068 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7213 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4358 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4358 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4358 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4358 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7213 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0068 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0068 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1992 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1992 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1501 1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1501 1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1980 -1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1980 -1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4495 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4495 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8084 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8084 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8852 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8852 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9943 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9943 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6416 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4493 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4493 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1501 0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1501 0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6621 -0.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6621 -0.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1485 -0.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1485 -0.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0134 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0134 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0392 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0392 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5005 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5005 1.7592 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 25 18 1 0 0 0 0 | + | 25 18 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 |
| − | 27 31 1 0 0 0 0 | + | 27 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 0.5641 -0.6083 | + | M SBV 1 36 0.5641 -0.6083 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0006 | + | ID FL3FEAGS0006 |
| − | 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(c1O)cc(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c1O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c1O)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
-0.4984 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4984 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9037 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9037 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6048 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3059 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3059 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6048 0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6048 -1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4358 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4358 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1992 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1501 1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 -1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4495 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8084 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8852 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9943 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4493 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1501 0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6621 -0.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1485 -0.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0134 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0392 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5005 1.7592 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 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
25 18 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
27 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 0.5641 -0.6083
S SKP 5
ID FL3FEAGS0006
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c1O)O)O
M END
