Mol:FL3FA9CS0004
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 |
| − | 1.4268 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4268 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4268 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4268 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1413 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1413 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8558 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8558 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8558 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8558 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1413 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1413 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6731 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6731 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -0.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -0.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7558 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7558 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7558 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7558 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6731 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6731 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4703 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1847 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1847 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1847 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1847 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4703 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8558 -0.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8558 -0.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4703 -2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 -2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4741 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4741 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2763 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2763 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7010 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7010 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8988 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2923 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2923 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0997 1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0997 1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8156 2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8156 2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9049 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9049 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8499 1.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8499 1.3860 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9CS0004 | + | ID FL3FA9CS0004 |
| − | KNApSAcK_ID C00014011 | + | KNApSAcK_ID C00014011 |
| − | NAME Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 160880-89-7 | + | CAS_RN 160880-89-7 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)cccc3)OC(CO)C(O)C1O | + | SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)cccc3)OC(CO)C(O)C1O |
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
1.4268 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1413 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8558 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8558 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1413 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -0.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1847 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1847 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8558 -0.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4741 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2763 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7010 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0997 1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8156 2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9049 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8499 1.3860 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 8
ID FL3FA9CS0004
KNApSAcK_ID C00014011
NAME Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 160880-89-7
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)cccc3)OC(CO)C(O)C1O
M END
