Mol:FL5FALGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9739 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9739 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9739 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9739 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4176 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4176 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8613 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8613 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8613 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8613 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4176 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4176 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3050 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3050 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7487 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7487 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7487 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7487 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3050 0.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3050 0.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3050 -1.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3050 -1.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1926 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1926 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3744 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3744 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9413 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9413 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9413 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9413 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3744 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3744 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1926 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1926 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5300 0.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5300 0.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1006 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1006 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9448 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9448 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5572 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5572 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3026 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3026 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0526 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0526 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4403 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4403 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6948 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6948 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2177 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2177 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9637 -0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9637 -0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0207 -1.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0207 -1.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5081 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5081 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4176 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4176 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3744 1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3744 1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7594 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7594 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8155 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8155 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5300 -1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5300 -1.8244 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -4.6200 5.4264 | + | M SBV 1 36 -4.6200 5.4264 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FALGL0001 | + | ID FL5FALGL0001 |
| − | KNApSAcK_ID C00005722 | + | KNApSAcK_ID C00005722 |
| − | NAME 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 161833-36-9 | + | CAS_RN 161833-36-9 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES c(c(O)4)cc(c(O)c4O)C(O2)=C(OC(C(O)3)OC(CO)C(O)C3O)C(=O)c(c21)c(cc(O)c1)O | + | SMILES c(c(O)4)cc(c(O)c4O)C(O2)=C(OC(C(O)3)OC(CO)C(O)C3O)C(=O)c(c21)c(cc(O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.9739 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9739 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8613 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8613 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3050 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3050 0.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3050 -1.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1926 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9413 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9413 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1926 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5300 0.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1006 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9448 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5572 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3026 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0526 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2177 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 -0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 -1.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7594 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5300 -1.8244 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 CH2OH
M SBV 1 36 -4.6200 5.4264
S SKP 8
ID FL5FALGL0001
KNApSAcK_ID C00005722
NAME 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 161833-36-9
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES c(c(O)4)cc(c(O)c4O)C(O2)=C(OC(C(O)3)OC(CO)C(O)C3O)C(=O)c(c21)c(cc(O)c1)O
M END
