Mol:FL5FACGS0008
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 |
| − | -3.3847 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3847 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3847 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3847 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6834 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6834 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9821 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9821 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9821 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9821 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6834 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6834 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5797 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5797 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5797 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5797 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 0.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 0.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8359 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8359 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5506 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5506 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5506 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5506 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8359 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8359 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0855 0.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0855 0.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1348 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1348 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3075 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3075 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8189 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8189 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7585 -1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7585 -1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7039 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7039 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1926 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1926 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2529 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2529 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6885 -0.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6885 -0.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7581 -0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7581 -0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8793 -1.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8793 -1.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2651 1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2651 1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6834 -1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6834 -1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8359 2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8359 2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5655 -1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5655 -1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0855 -0.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0855 -0.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0855 -2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0855 -2.4439 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 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 |
| − | 23 32 1 0 0 0 0 | + | 23 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 -0.8616 -0.2311 | + | M SBV 1 37 -0.8616 -0.2311 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0008 | + | ID FL5FACGS0008 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)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
-3.3847 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3847 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9821 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9821 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 0.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8359 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5506 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5506 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8359 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 0.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1348 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3075 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8189 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7585 -1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7039 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1926 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2529 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6885 -0.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7581 -0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8793 -1.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2651 1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 -1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8359 2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5655 -1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 -0.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 -2.4439 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
23 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 -0.8616 -0.2311
S SKP 5
ID FL5FACGS0008
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)O)O
M END
