Mol:FL5FA9GS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1008 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1008 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1008 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1008 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6571 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6571 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2134 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2134 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2134 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2134 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6571 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6571 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7697 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7697 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3260 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3260 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3260 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3260 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7697 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7697 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7697 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7697 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8821 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8821 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4491 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4491 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4491 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4491 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8821 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8821 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0567 -0.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0567 -0.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4553 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4553 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6571 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6571 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3023 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3023 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7867 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7867 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0442 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0442 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3277 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3277 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8483 0.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8483 0.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4979 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4979 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0161 0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0161 0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5905 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5905 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6187 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6187 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8885 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8885 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4719 1.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4719 1.2341 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 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 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 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 33 -6.5762 5.1676 | + | M SBV 1 33 -6.5762 5.1676 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9GS0002 | + | ID FL5FA9GS0002 |
| − | KNApSAcK_ID C00005122 | + | KNApSAcK_ID C00005122 |
| − | NAME Galangin 7-glucoside | + | NAME Galangin 7-glucoside |
| − | CAS_RN 68592-13-2 | + | CAS_RN 68592-13-2 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cccc2)C(O)C(O)C(O)C1CO | + | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cccc2)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/
31 34 0 0 0 0 0 0 0 0999 V2000
0.1008 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1008 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7697 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7697 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7697 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0567 -0.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4553 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3023 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7867 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0442 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3277 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 0.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4979 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0161 0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6187 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4719 1.2341 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
18 8 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 ^CH2OH
M SBV 1 33 -6.5762 5.1676
S SKP 8
ID FL5FA9GS0002
KNApSAcK_ID C00005122
NAME Galangin 7-glucoside
CAS_RN 68592-13-2
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cccc2)C(O)C(O)C(O)C1CO
M END
