Mol:FL4DCCGS0001
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 |
| − | -2.8938 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8938 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1795 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1795 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4652 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4652 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4652 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4652 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1795 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1795 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8938 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8938 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7509 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7509 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0367 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0367 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0367 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0367 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7509 0.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7509 0.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7509 -1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7509 -1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7582 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7582 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4832 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4832 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2082 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2082 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2082 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2082 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4832 1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4832 1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7582 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7582 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6053 -1.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6053 -1.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9331 1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9331 1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1795 -1.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1795 -1.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4832 2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4832 2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7734 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7734 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3610 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3610 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 -1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 -1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9521 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9521 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3648 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3648 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5715 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5715 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0706 -0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0706 -0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0837 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0837 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0197 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0197 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3675 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3675 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0197 2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0197 2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6339 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6339 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6046 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6046 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 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 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 35 0.4738 -0.8764 | + | M SBV 1 35 0.4738 -0.8764 |
| − | 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 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 37 -0.6818 -0.0894 | + | M SBV 2 37 -0.6818 -0.0894 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DCCGS0001 | + | ID FL4DCCGS0001 |
| − | FORMULA C22H24O12 | + | FORMULA C22H24O12 |
| − | EXACTMASS 480.126776232 | + | EXACTMASS 480.126776232 |
| − | AVERAGEMASS 480.41876 | + | AVERAGEMASS 480.41876 |
| − | SMILES c(c(C(O3)C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)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
-2.8938 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8938 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0367 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0367 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 0.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7582 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4832 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4832 1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7582 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 -1.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 -1.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4832 2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7734 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3610 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 -1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9521 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5715 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0706 -0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0837 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0197 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3675 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0197 2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6339 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6046 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 18 1 0 0 0 0
31 32 1 0 0 0 0
6 31 1 0 0 0 0
33 34 1 0 0 0 0
25 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 ^ OCH3
M SBV 1 35 0.4738 -0.8764
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 CH2OH
M SBV 2 37 -0.6818 -0.0894
S SKP 5
ID FL4DCCGS0001
FORMULA C22H24O12
EXACTMASS 480.126776232
AVERAGEMASS 480.41876
SMILES c(c(C(O3)C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O
M END
