Mol:FL3FFAGS0002
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 |
| − | -1.9250 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9250 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9250 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9250 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2241 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2241 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5230 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5230 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5230 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5230 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2241 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2241 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1781 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8791 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8791 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8791 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8791 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1781 -0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 -0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1781 -3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 -3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2945 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2945 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0090 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0090 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0090 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0090 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2945 0.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2945 0.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2241 -3.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2241 -3.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7021 0.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7021 0.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5404 -0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5404 -0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2186 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2186 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8068 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8068 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1850 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1850 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4766 0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4766 0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0605 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0605 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8432 1.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8432 1.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5520 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5520 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5781 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5781 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7021 2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7021 2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5240 -0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5240 -0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3653 2.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3653 2.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1408 2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1408 2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8525 3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8525 3.3438 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 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 21 1 0 0 0 0 | + | 25 21 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 -0.1866 -0.9071 | + | M SBV 1 36 -0.1866 -0.9071 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFAGS0002 | + | ID FL3FFAGS0002 |
| − | 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(c12)c(cc(O)c(C(=O)C=C(c(c3)ccc(O)c3)O2)1)O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)ccc(O)c3)O2)1)O)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
-1.9250 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9250 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2241 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2241 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 -2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2945 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2945 0.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2241 -3.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7021 0.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 -0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8068 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1850 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4766 0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0605 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8432 1.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5520 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5781 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 -0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3653 2.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1408 2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8525 3.3438 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 3 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
6 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 21 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 -0.1866 -0.9071
S SKP 5
ID FL3FFAGS0002
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)ccc(O)c3)O2)1)O)O)O
M END
