Mol:FL5F9AGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1678 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1678 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1678 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1678 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6115 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6115 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0552 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0552 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6115 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6115 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4989 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4989 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9426 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9426 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9426 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9426 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4989 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4989 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4989 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4989 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3865 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3865 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1804 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1804 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7474 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7474 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7474 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7474 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1804 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1804 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3865 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3865 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2120 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2120 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8334 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8334 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4458 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4458 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1912 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1912 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9412 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9412 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3289 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3289 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5834 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5834 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1134 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1134 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8904 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8904 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8883 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8883 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4534 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4534 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1678 -1.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1678 -1.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3142 1.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3142 1.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0287 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0287 1.0769 0.0000 C 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 |
| − | 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 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 31 -5.0853 7.5556 | + | M SBV 1 31 -5.0853 7.5556 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 33 -5.0307 7.8562 | + | M SBV 2 33 -5.0307 7.8562 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F9AGL0001 | + | ID FL5F9AGL0001 |
| − | KNApSAcK_ID C00005119 | + | KNApSAcK_ID C00005119 |
| − | NAME 3-Hydroxy-4'-methoxyflavone 3-glucoside | + | NAME 3-Hydroxy-4'-methoxyflavone 3-glucoside |
| − | CAS_RN 135557-21-0 | + | CAS_RN 135557-21-0 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES O(C)c(c1)ccc(C(=C(OC(O4)C(O)C(C(C(CO)4)O)O)2)Oc(c3)c(ccc3)C2=O)c1 | + | SMILES O(C)c(c1)ccc(C(=C(OC(O4)C(O)C(C(C(CO)4)O)O)2)Oc(c3)c(ccc3)C2=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.1678 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1678 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6115 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6115 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7474 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7474 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4458 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9412 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3289 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5834 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1134 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8904 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4534 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1678 -1.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3142 1.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0287 1.0769 0.0000 C 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
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
18 8 1 0 0 0 0
22 28 1 0 0 0 0
28 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 CH2OH
M SBV 1 31 -5.0853 7.5556
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SBV 2 33 -5.0307 7.8562
S SKP 8
ID FL5F9AGL0001
KNApSAcK_ID C00005119
NAME 3-Hydroxy-4'-methoxyflavone 3-glucoside
CAS_RN 135557-21-0
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES O(C)c(c1)ccc(C(=C(OC(O4)C(O)C(C(C(CO)4)O)O)2)Oc(c3)c(ccc3)C2=O)c1
M END
