Mol:FL5FG9NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7197 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7197 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1771 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1771 -2.1776 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.8237 -0.6973 | + | M SVB 3 26 0.8237 -0.6973 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.3149 -0.3996 | + | M SVB 2 24 -2.3149 -0.3996 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.9576 0.77 | + | M SVB 1 22 -1.9576 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FG9NS0002 | + | ID FL5FG9NS0002 |
| − | KNApSAcK_ID C00004586 | + | KNApSAcK_ID C00004586 |
| − | NAME 5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME 5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 85966-33-2 | + | CAS_RN 85966-33-2 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1771 -2.1776 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
6 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.8237 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.3149 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.9576 0.77
S SKP 8
ID FL5FG9NS0002
KNApSAcK_ID C00004586
NAME 5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 85966-33-2
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1
M END
