Mol:FL63ACGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7127 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7127 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7127 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7127 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9982 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9982 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2838 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2838 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2838 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2838 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9982 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9982 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5693 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5693 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1451 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1451 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1451 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1451 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5693 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5693 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3003 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3003 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3003 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3003 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9898 2.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9898 2.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4272 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4272 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9982 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9982 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7868 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7868 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1460 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1460 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8639 -1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8639 -1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3821 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3821 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0229 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0229 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3051 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3051 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3794 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3794 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8093 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8093 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4272 -1.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4272 -1.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5799 3.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5799 3.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0850 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0850 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3701 -3.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3701 -3.3129 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 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 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 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 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -0.7029 0.4058 | + | M SBV 1 35 -0.7029 0.4058 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0002 | + | ID FL63ACGS0002 |
| − | FORMULA C21H24O11 | + | FORMULA C21H24O11 |
| − | EXACTMASS 452.13186161 | + | EXACTMASS 452.13186161 |
| − | AVERAGEMASS 452.40866 | + | AVERAGEMASS 452.40866 |
| − | SMILES C(C1OC(C(c(c4)cc(c(O)c4)O)3)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1OC(C(c(c4)cc(c(O)c4)O)3)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.7127 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2838 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2838 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5693 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5693 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3003 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3003 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9898 2.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4272 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1460 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8639 -1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0229 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3794 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8093 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4272 -1.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 3.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0850 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3701 -3.3129 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
4 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 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 6 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
24 23 1 1 0 0 0
15 30 1 0 0 0 0
31 32 1 0 0 0 0
24 31 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 CH2OH
M SBV 1 35 -0.7029 0.4058
S SKP 5
ID FL63ACGS0002
FORMULA C21H24O11
EXACTMASS 452.13186161
AVERAGEMASS 452.40866
SMILES C(C1OC(C(c(c4)cc(c(O)c4)O)3)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
