Mol:FL5FGLNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3307 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0494 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0494 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6128 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6128 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2074 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2074 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0734 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0734 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5716 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5716 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7410 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7410 1.6360 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 29 | + | M SBL 4 1 29 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 29 -2.241 0.77 | + | M SVB 4 29 -2.241 0.77 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.5983 -0.3996 | + | M SVB 3 27 -2.5983 -0.3996 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.5403 -0.6973 | + | M SVB 2 25 0.5403 -0.6973 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -1.0494 1.0455 | + | M SVB 1 23 -1.0494 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGLNS0001 | + | ID FL5FGLNS0001 |
| − | KNApSAcK_ID C00004781 | + | KNApSAcK_ID C00004781 |
| − | NAME 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone | + | NAME 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| − | CAS_RN 70368-15-9 | + | CAS_RN 70368-15-9 |
| − | FORMULA C19H18O9 | + | FORMULA C19H18O9 |
| − | EXACTMASS 390.095082174 | + | EXACTMASS 390.095082174 |
| − | AVERAGEMASS 390.34082 | + | AVERAGEMASS 390.34082 |
| − | SMILES O(C(c(c3)c(O)cc(O)c3)=1)c(c2OC)c(c(c(c2OC)OC)O)C(C1OC)=O | + | SMILES O(C(c(c3)c(O)cc(O)c3)=1)c(c2OC)c(c(c(c2OC)OC)O)C(C1OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0494 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6128 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5716 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 1.6360 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
15 18 1 0 0 0 0
17 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 -2.241 0.77
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.5983 -0.3996
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.5403 -0.6973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -1.0494 1.0455
S SKP 8
ID FL5FGLNS0001
KNApSAcK_ID C00004781
NAME 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
CAS_RN 70368-15-9
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES O(C(c(c3)c(O)cc(O)c3)=1)c(c2OC)c(c(c(c2OC)OC)O)C(C1OC)=O
M END
