Mol:FL3FAEGS0002
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 |
| − | -1.2349 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2349 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2349 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2349 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5339 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5339 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1672 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1672 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1672 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1672 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5339 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5339 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8684 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8684 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8684 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8684 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8684 -2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8684 -2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2701 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2701 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9846 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9846 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6993 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6993 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6993 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6993 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9846 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9846 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2701 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2701 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9846 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9846 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9346 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9346 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5339 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5339 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9075 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9075 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3465 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3465 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5387 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5387 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7593 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7593 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3257 0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3257 0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0324 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0324 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5427 -0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5427 -0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0959 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0959 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8476 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8476 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6214 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6214 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5189 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5189 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1726 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1726 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4323 1.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4323 1.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5427 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5427 0.8531 0.0000 C 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 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 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 35 0.5889 -0.5703 | + | M SBV 1 35 0.5889 -0.5703 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 -0.7331 -0.4871 | + | M SBV 2 37 -0.7331 -0.4871 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAEGS0002 | + | ID FL3FAEGS0002 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(O)=O)O)O)1)OC(c(c2)ccc(c2O)OC)=CC1=O | + | SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(O)=O)O)O)1)OC(c(c2)ccc(c2O)OC)=CC1=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
-1.2349 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 -2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9346 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9075 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3465 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3257 0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0324 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5427 -0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0959 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6214 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5189 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1726 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4323 1.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5427 0.8531 0.0000 C 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
16 18 1 0 0 0 0
1 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 19 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
33 34 1 0 0 0 0
15 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.5889 -0.5703
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -0.7331 -0.4871
S SKP 5
ID FL3FAEGS0002
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(O)=O)O)O)1)OC(c(c2)ccc(c2O)OC)=CC1=O
M END
