Mol:FL5FF8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7790 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6451 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6451 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1452 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1452 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6362 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3122 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3122 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1782 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1782 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9447 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5082 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5082 1.7995 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -0.9447 0.8998 | + | M SVB 4 27 -0.9447 0.8998 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.6451 -0.843 | + | M SVB 3 25 0.6451 -0.843 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.1362 0.6243 | + | M SVB 2 23 -2.1362 0.6243 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.6451 1.6001 | + | M SVB 1 21 0.6451 1.6001 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF8NS0003 | + | ID FL5FF8NS0003 |
| − | KNApSAcK_ID C00004610 | + | KNApSAcK_ID C00004610 |
| − | NAME 5-Hydroxy-3,7,8,2'-tetramethoxyflavone | + | NAME 5-Hydroxy-3,7,8,2'-tetramethoxyflavone |
| − | CAS_RN 86828-02-6 | + | CAS_RN 86828-02-6 |
| − | FORMULA C19H18O7 | + | FORMULA C19H18O7 |
| − | EXACTMASS 358.10525293 | + | EXACTMASS 358.10525293 |
| − | AVERAGEMASS 358.34202000000005 | + | AVERAGEMASS 358.34202000000005 |
| − | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(OC)ccc3)=C2OC)1)O | + | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(OC)ccc3)=C2OC)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1452 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3122 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1782 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5082 1.7995 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
3 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
1 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
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -0.9447 0.8998
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.6451 -0.843
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.1362 0.6243
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.6451 1.6001
S SKP 8
ID FL5FF8NS0003
KNApSAcK_ID C00004610
NAME 5-Hydroxy-3,7,8,2'-tetramethoxyflavone
CAS_RN 86828-02-6
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)c(OC)ccc3)=C2OC)1)O
M END
