Mol:FL5FDCGS0004
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 |
| − | -1.3065 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5921 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5921 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1224 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1224 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1224 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1224 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5921 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5921 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8368 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8368 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5512 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5512 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5512 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5512 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8368 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8368 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8368 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8368 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2654 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2654 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9935 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9935 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7216 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7216 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7216 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7216 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9935 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9935 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2654 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2654 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5921 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5921 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3169 1.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3169 1.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9935 1.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9935 1.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5954 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5954 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7886 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7886 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0447 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0447 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7886 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7886 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5954 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5954 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3396 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3396 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2361 2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2361 2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7188 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7188 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0020 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0020 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3169 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3169 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3602 -1.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3602 -1.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4723 -2.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4723 -2.4322 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 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 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 -0.8090 0.4671 | + | M SBV 1 36 -0.8090 0.4671 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDCGS0004 | + | ID FL5FDCGS0004 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C | + | SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C |
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
-1.3065 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1224 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1224 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5512 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5512 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3169 1.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 1.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0447 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3396 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2361 2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7188 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3169 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3602 -1.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4723 -2.4322 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 1 0 0 0 0
32 33 1 0 0 0 0
8 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -0.8090 0.4671
S SKP 5
ID FL5FDCGS0004
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C
M END
