Mol:FLIA1AGS0001
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 |
| − | -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2988 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2988 0.9521 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 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 |
| − | 23 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 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 -6.0313 4.3892 | + | M SBV 1 32 -6.0313 4.3892 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1AGS0001 | + | ID FLIA1AGS0001 |
| − | KNApSAcK_ID C00002518 | + | KNApSAcK_ID C00002518 |
| − | NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside | + | NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside |
| − | CAS_RN 552-66-9 | + | CAS_RN 552-66-9 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 | + | SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 |
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
-0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2988 0.9521 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 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
23 11 1 0 0 0 0
22 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 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 -6.0313 4.3892
S SKP 8
ID FLIA1AGS0001
KNApSAcK_ID C00002518
NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside
CAS_RN 552-66-9
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1
M END
