Mol:FL1AACGS0004
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 |
| − | 0.0362 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0362 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0362 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0362 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6782 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6782 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6782 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6782 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8209 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8209 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3058 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3058 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8209 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8209 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1071 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1071 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9137 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9137 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1299 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1299 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5431 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5431 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3697 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3697 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7828 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7828 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3697 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3697 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5431 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5431 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6077 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6077 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0194 -1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0194 -1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7821 1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7821 1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6782 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6782 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8314 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8314 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3206 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3206 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5850 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5850 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8754 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8754 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3912 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3912 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0347 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0347 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6077 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6077 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1456 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1456 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8706 -0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8706 -0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5148 1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5148 1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3303 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3303 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2151 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2151 1.8500 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 10 1 0 0 0 0 | + | 25 10 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 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 31 32 33 | + | M SAL 1 3 31 32 33 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 HOO^C | + | M SMT 1 HOO^C |
| − | M SBV 1 34 0.4801 -0.5993 | + | M SBV 1 34 0.4801 -0.5993 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AACGS0004 | + | ID FL1AACGS0004 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES c(c1)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(o2)c(c(c(=Cc(c3)ccc(c3O)O)2)=O)c1O | + | SMILES c(c1)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(o2)c(c(c(=Cc(c3)ccc(c3O)O)2)=O)c1O |
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
0.0362 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0362 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3058 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1071 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9137 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1299 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5431 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7828 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5431 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0194 -1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7821 1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8314 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3206 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5850 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3912 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0347 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6077 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1456 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8706 -0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5148 1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3303 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2151 1.8500 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 10 1 0 0 0 0
27 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 31 32 33
M SBL 1 1 34
M SMT 1 HOO^C
M SBV 1 34 0.4801 -0.5993
S SKP 5
ID FL1AACGS0004
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES c(c1)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(o2)c(c(c(=Cc(c3)ccc(c3O)O)2)=O)c1O
M END
