Mol:FL3FA9GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3825 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3825 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3825 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3825 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1744 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1744 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7414 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7414 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7414 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7414 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1744 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1744 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3825 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3825 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7299 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7299 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4532 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4532 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9788 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9788 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1951 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1951 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4786 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4786 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9993 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9993 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6488 0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6488 0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3190 1.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3190 1.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7414 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7414 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7697 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7697 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4254 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4254 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7109 0.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7109 0.3422 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -7.1856 2.8790 | + | M SBV 1 32 -7.1856 2.8790 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9GS0003 | + | ID FL3FA9GS0003 |
| − | KNApSAcK_ID C00004111 | + | KNApSAcK_ID C00004111 |
| − | NAME Chrysin 7-galactoside | + | NAME Chrysin 7-galactoside |
| − | CAS_RN 73036-52-9 | + | CAS_RN 73036-52-9 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES C(=C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES C(=C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.1738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1744 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7414 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7414 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1744 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4532 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9788 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1951 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4786 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9993 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6488 0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3190 1.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7414 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7109 0.3422 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
25 29 1 0 0 0 0
29 30 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 32
M SMT 1 CH2OH
M SBV 1 32 -7.1856 2.8790
S SKP 8
ID FL3FA9GS0003
KNApSAcK_ID C00004111
NAME Chrysin 7-galactoside
CAS_RN 73036-52-9
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(=C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO
M END
