Mol:FLIAAAGS0003
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 |
| − | -3.3100 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3100 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7537 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7537 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1976 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1976 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1976 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1976 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6209 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6209 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0442 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0442 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0442 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0442 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6209 1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6209 1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3100 0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3100 0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7537 0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7537 0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6209 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6209 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4678 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4678 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4678 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4678 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0835 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0835 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6349 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6349 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6349 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6349 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0835 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0835 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1054 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1054 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7924 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7924 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6980 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6980 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3123 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3123 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8390 -0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8390 -0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3714 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3714 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8652 -0.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8652 -0.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4164 -0.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4164 -0.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8212 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8212 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8212 1.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8212 1.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7642 -0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7642 -0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6979 -1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6979 -1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4123 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4123 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 10 29 1 0 0 0 0 | + | 10 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 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 -9.0794 3.1928 | + | M SBV 1 33 -9.0794 3.1928 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAAGS0003 | + | ID FLIAAAGS0003 |
| − | KNApSAcK_ID C00010105 | + | KNApSAcK_ID C00010105 |
| − | NAME Genistein 4'-O-glucoside;Sophoricoside | + | NAME Genistein 4'-O-glucoside;Sophoricoside |
| − | CAS_RN 152-95-4 | + | CAS_RN 152-95-4 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c1C(C(=O)3)=COc(c4)c3c(cc(O)4)O)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(C(=O)3)=COc(c4)c3c(cc(O)4)O)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
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
-3.3100 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6209 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0442 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0442 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6209 1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3100 0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6209 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4678 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4678 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6349 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6349 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1054 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7924 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6980 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8390 -0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3714 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 -0.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4164 -0.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8212 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8212 1.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7642 -0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6979 -1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4123 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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 15 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
18 19 1 0 0 0 0
24 25 1 0 0 0 0
23 26 1 0 0 0 0
22 27 1 0 0 0 0
1 28 1 0 0 0 0
10 29 1 0 0 0 0
21 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 -9.0794 3.1928
S SKP 8
ID FLIAAAGS0003
KNApSAcK_ID C00010105
NAME Genistein 4'-O-glucoside;Sophoricoside
CAS_RN 152-95-4
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1C(C(=O)3)=COc(c4)c3c(cc(O)4)O)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
