Mol:FL2FACGS0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.9630 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.5922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.5922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -3.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -3.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -3.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -3.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6829 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6829 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2508 1.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.2508 1.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0706 1.8732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0706 1.8732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.2508 2.5076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.2508 2.5076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6829 2.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6829 2.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8630 2.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.8630 2.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.6383 3.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6383 3.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6052 2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6052 2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4882 1.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4882 1.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1602 2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1602 2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5539 1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5539 1.7008 0.0000 O 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 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 0.3088 2.6795 | + | M SVB 1 34 0.3088 2.6795 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACGS0006 | + | ID FL2FACGS0006 |
| − | KNApSAcK_ID C00008293 | + | KNApSAcK_ID C00008293 |
| − | NAME Eriodictyol 3'-O-glucoside | + | NAME Eriodictyol 3'-O-glucoside |
| − | CAS_RN 69284-90-8 | + | CAS_RN 69284-90-8 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c2)(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@@H](O1)C(O)C(O)[C@H](O)[C@@H]1CO | + | SMILES c(c2)(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@@H](O1)C(O)C(O)[C@H](O)[C@@H]1CO |
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
-1.9630 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.5922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2941 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -3.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -3.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6829 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 1.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0706 1.8732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2508 2.5076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6829 2.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8630 2.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6383 3.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4882 1.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1602 2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 1.7008 0.0000 O 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 1 0 0 0 0
3 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
24 30 1 0 0 0 0
23 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 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 34
M SMT 1 CH2OH
M SVB 1 34 0.3088 2.6795
S SKP 8
ID FL2FACGS0006
KNApSAcK_ID C00008293
NAME Eriodictyol 3'-O-glucoside
CAS_RN 69284-90-8
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c2)(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@@H](O1)C(O)C(O)[C@H](O)[C@@H]1CO
M END
