Mol:FL5FFCGS0003
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 |
| − | -0.5907 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5907 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5907 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5907 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5219 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5219 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5219 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5219 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0782 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0782 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6345 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6345 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6345 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6345 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0782 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0782 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0782 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0782 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7575 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7575 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3245 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3245 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3245 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3245 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7575 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7575 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1468 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1468 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1906 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1906 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7575 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7575 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9087 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9087 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2493 0.7712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2493 0.7712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.1643 0.0934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.1643 0.0934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5344 -0.0035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5344 -0.0035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0349 -0.2848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0349 -0.2848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1873 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1873 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7745 0.3066 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7745 0.3066 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7893 1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7893 1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7578 -0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7578 -0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5253 -0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5253 -0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5157 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5157 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2228 1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2228 1.9796 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 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 -2.1832 0.4217 | + | M SVB 1 36 -2.1832 0.4217 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGS0003 | + | ID FL5FFCGS0003 |
| − | KNApSAcK_ID C00005688 | + | KNApSAcK_ID C00005688 |
| − | NAME Gossypetin 7-glucoside | + | NAME Gossypetin 7-glucoside |
| − | CAS_RN 489-34-9 | + | CAS_RN 489-34-9 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES [C@@H]([C@@H]1Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)cc(c(O)c2)O)=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)cc(c(O)c2)O)=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO |
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
-0.5907 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0782 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6345 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6345 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0782 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0782 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1468 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9087 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 0.7712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1643 0.0934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5344 -0.0035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0349 -0.2848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1873 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7745 0.3066 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7893 1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7578 -0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5253 -0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5157 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2228 1.9796 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
16 21 1 0 0 0 0
15 22 1 0 0 0 0
6 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 -2.1832 0.4217
S SKP 8
ID FL5FFCGS0003
KNApSAcK_ID C00005688
NAME Gossypetin 7-glucoside
CAS_RN 489-34-9
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES [C@@H]([C@@H]1Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)cc(c(O)c2)O)=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
