Mol:FL5FAGGS0006
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 |
| − | -0.5618 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5618 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1179 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9376 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9376 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9202 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9202 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4602 -0.0026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4602 -0.0026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0333 -0.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0333 -0.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4185 -0.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4185 -0.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8253 -0.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8253 -0.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2564 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2564 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8844 -0.1150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8844 -0.1150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9374 0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9374 0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6988 -0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6988 -0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0662 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0662 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1196 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1196 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4499 1.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4499 1.3534 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 36 -3.1196 0.6108 | + | M SVB 1 36 -3.1196 0.6108 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAGGS0006 | + | ID FL5FAGGS0006 |
| − | KNApSAcK_ID C00005732 | + | KNApSAcK_ID C00005732 |
| − | NAME Myricetin 7-glucoside | + | NAME Myricetin 7-glucoside |
| − | CAS_RN 34069-06-2 | + | CAS_RN 34069-06-2 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES [C@@H](O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)[C@@H](O)[C@@H](O)[C@@H](O)C1CO | + | SMILES [C@@H](O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)[C@@H](O)[C@@H](O)[C@@H](O)C1CO |
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
-0.5618 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5618 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9202 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 -0.0026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0333 -0.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4185 -0.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8253 -0.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2564 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8844 -0.1150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9374 0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6988 -0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4499 1.3534 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
16 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 18 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 CH2OH
M SVB 1 36 -3.1196 0.6108
S SKP 8
ID FL5FAGGS0006
KNApSAcK_ID C00005732
NAME Myricetin 7-glucoside
CAS_RN 34069-06-2
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES [C@@H](O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)[C@@H](O)[C@@H](O)[C@@H](O)C1CO
M END
