Mol:FLIAAAGS0009
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 |
| − | -1.5182 1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5182 1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9619 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9619 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4056 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4056 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1505 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1505 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1505 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1505 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7273 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7273 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3040 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3040 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3040 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3040 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7273 1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7273 1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9617 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9617 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4056 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4056 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7273 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7273 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8803 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8803 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8803 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8803 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4317 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4317 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9830 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9830 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9830 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9830 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4317 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4317 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5344 -0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5344 -0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6940 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6940 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3477 -1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3477 -1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8491 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8491 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3295 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3295 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7176 -0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7176 -0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2269 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2269 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5344 -0.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5344 -0.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8875 -1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8875 -1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5634 -1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5634 -1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4161 -0.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4161 -0.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4325 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4325 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7181 -0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7181 -0.2723 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 11 29 1 0 0 0 0 | + | 11 29 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 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 -9.7004 4.9550 | + | M SBV 1 33 -9.7004 4.9550 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAAGS0009 | + | ID FLIAAAGS0009 |
| − | KNApSAcK_ID C00010162 | + | KNApSAcK_ID C00010162 |
| − | NAME Genistein 5-O-glucoside | + | NAME Genistein 5-O-glucoside |
| − | CAS_RN 128508-06-5 | + | CAS_RN 128508-06-5 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C1Oc(c24)cc(O)cc2OC=C(C4=O)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c24)cc(O)cc2OC=C(C4=O)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO |
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
-1.5182 1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9619 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8803 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8803 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4317 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4317 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5344 -0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6940 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3477 -1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8491 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3295 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2269 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5344 -0.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8875 -1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5634 -1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4161 -0.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4325 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -0.2723 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 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
11 29 1 0 0 0 0
23 29 1 0 0 0 0
25 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 -9.7004 4.9550
S SKP 8
ID FLIAAAGS0009
KNApSAcK_ID C00010162
NAME Genistein 5-O-glucoside
CAS_RN 128508-06-5
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C1Oc(c24)cc(O)cc2OC=C(C4=O)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO
M END
