Mol:FL3FEAGS0001
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 |
| − | -1.1186 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1186 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1186 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1186 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4176 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4176 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2835 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2835 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2835 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2835 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4176 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4176 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9847 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9847 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6856 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6856 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6856 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6856 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9847 1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9847 1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9847 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9847 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3864 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3864 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1009 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1009 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8156 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8156 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8156 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8156 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1009 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1009 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3864 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3864 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8194 1.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8194 1.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5299 2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5299 2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4190 -1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4190 -1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8203 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8203 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1791 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1791 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2558 -1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2558 -1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3651 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3651 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0124 -1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0124 -1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8201 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8201 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4962 -1.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4962 -1.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8469 -2.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8469 -2.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3370 -2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3370 -2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8183 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8183 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5041 -1.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5041 -1.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5299 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5299 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9912 -0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9912 -0.1341 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 |
| − | 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 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 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 0.6840 -0.5910 | + | M SBV 1 36 0.6840 -0.5910 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0001 | + | ID FL3FEAGS0001 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)ccc(O)c3)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)ccc(O)c3)O1)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
-1.1186 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1186 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6856 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6856 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3864 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1009 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8156 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8156 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1009 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3864 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 1.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5299 2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4190 -1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8203 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1791 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2558 -1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 -1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8201 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4962 -1.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8469 -2.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 -2.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8183 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5041 -1.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5299 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9912 -0.1341 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
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 20 1 0 0 0 0
2 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 0.6840 -0.5910
S SKP 5
ID FL3FEAGS0001
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)ccc(O)c3)O1)O)O
M END
