Mol:FL5FCFGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -3.0182 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0182 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0182 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0182 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3171 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3171 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6161 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6161 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6160 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6160 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3171 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3171 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9149 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9149 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2140 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2140 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2139 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2139 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9149 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9149 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9149 -2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9149 -2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4869 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4869 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2014 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2014 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9159 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9159 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9159 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9159 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2014 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2014 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4869 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4869 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6028 -1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6028 -1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9904 -1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9904 -1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2420 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2420 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0129 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0129 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7615 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7615 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7867 -2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7867 -2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 -1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 -1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2908 -2.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2908 -2.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7142 -1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7142 -1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3170 -2.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3170 -2.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4684 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4684 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0985 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0985 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0072 1.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0072 1.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0985 2.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0985 2.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 1.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 1.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1148 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1148 3.1167 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.4503 -0.7797 | + | M SBV 1 33 0.4503 -0.7797 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -1.0913 -0.6303 | + | M SBV 2 35 -1.0913 -0.6303 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 37 -0.3572 -0.7261 | + | M SBV 3 37 -0.3572 -0.7261 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCFGS0001 | + | ID FL5FCFGS0001 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES O(c(c4)c(OC)cc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(C(O)1)OCC(C(O)1)O)C | + | SMILES O(c(c4)c(OC)cc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(C(O)1)OCC(C(O)1)O)C |
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
-3.0182 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0182 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6161 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2140 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2139 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 -2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2014 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2014 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 -1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2420 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0129 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7615 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7867 -2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 -1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2908 -2.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 -1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3170 -2.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4684 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0985 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0072 1.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0985 2.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 1.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1148 3.1167 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
21 22 1 1 0 0 0
3 28 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
33 34 1 0 0 0 0
16 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.4503 -0.7797
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -1.0913 -0.6303
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 37
M SMT 3 OCH3
M SBV 3 37 -0.3572 -0.7261
S SKP 5
ID FL5FCFGS0001
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES O(c(c4)c(OC)cc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(C(O)1)OCC(C(O)1)O)C
M END
