Mol:FL3F1AGS0001
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 |
| − | -0.4926 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4926 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4926 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4926 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0637 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0637 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6200 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6200 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6200 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6200 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0637 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0637 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1763 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1763 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1763 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1763 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1763 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1763 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2887 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2887 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8557 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8557 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4226 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4226 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4226 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4226 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8557 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8557 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2887 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2887 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0487 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0487 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3585 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3585 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9026 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9026 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2463 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2463 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6129 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6129 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0732 0.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0732 0.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6474 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6474 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9895 -0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9895 -0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6132 -0.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6132 -0.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8702 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8702 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9895 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9895 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5443 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5443 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2588 0.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2588 0.7319 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 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 |
| − | 19 25 1 0 0 0 0 | + | 19 25 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 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 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 -8.2848 5.0855 | + | M SBV 1 32 -8.2848 5.0855 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1AGS0001 | + | ID FL3F1AGS0001 |
| − | KNApSAcK_ID C00004116 | + | KNApSAcK_ID C00004116 |
| − | NAME 7,4'-Dihydroxyflavone 7-glucoside | + | NAME 7,4'-Dihydroxyflavone 7-glucoside |
| − | CAS_RN 20633-86-7 | + | CAS_RN 20633-86-7 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)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
-0.4926 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4926 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0637 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0637 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2887 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8557 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8557 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2887 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0487 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3585 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9026 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0732 0.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9895 -0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6132 -0.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9895 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5443 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 0.7319 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
1 18 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
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
15 28 1 0 0 0 0
24 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 -8.2848 5.0855
S SKP 8
ID FL3F1AGS0001
KNApSAcK_ID C00004116
NAME 7,4'-Dihydroxyflavone 7-glucoside
CAS_RN 20633-86-7
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1
M END
