Mol:FL3F9CGS0001
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 |
| − | -3.9310 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9310 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9310 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9310 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3747 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3747 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3747 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3747 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2621 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2621 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7058 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7058 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2621 -0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2621 -0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2621 -1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2621 -1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1497 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1497 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5827 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5827 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0157 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0157 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0157 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0157 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5827 0.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5827 0.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1497 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1497 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5511 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5511 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5965 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5965 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2089 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2089 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9543 1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9543 1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7043 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7043 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0921 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0921 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3465 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3465 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8766 1.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8766 1.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6535 1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6535 1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6514 1.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6514 1.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5827 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5827 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2165 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2165 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9310 0.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9310 0.4128 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 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 -7.2509 3.6005 | + | M SBV 1 32 -7.2509 3.6005 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F9CGS0001 | + | ID FL3F9CGS0001 |
| − | KNApSAcK_ID C00004119 | + | KNApSAcK_ID C00004119 |
| − | NAME 3',4'-Dihydroxyflavone 4'-glucoside | + | NAME 3',4'-Dihydroxyflavone 4'-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)1)cccc1 | + | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)1)cccc1 |
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
-3.9310 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9310 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3747 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3747 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2621 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2621 -0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2621 -1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5827 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5827 0.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5965 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2089 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7043 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0921 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3465 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8766 1.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6535 1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6514 1.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5827 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2165 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9310 0.4128 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
15 18 1 0 0 0 0
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
16 28 1 0 0 0 0
22 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 -7.2509 3.6005
S SKP 8
ID FL3F9CGS0001
KNApSAcK_ID C00004119
NAME 3',4'-Dihydroxyflavone 4'-glucoside
CAS_RN -
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(C(=O)4)(c(OC(=C4)c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)1)cccc1
M END
