Mol:FL5FF9NI0003
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 |
| − | -1.6901 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6901 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6901 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6901 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1338 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1338 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5775 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5775 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5775 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5775 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1338 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1338 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0212 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0212 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5351 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5351 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5351 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5351 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0212 0.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0212 0.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0212 -0.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0212 -0.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0912 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0912 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6581 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6581 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2251 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2251 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2251 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2251 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6581 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6581 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0912 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0912 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0912 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0912 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1338 -0.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1338 -0.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2462 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0912 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0912 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5136 -1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5136 -1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2462 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2462 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2462 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2462 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8558 1.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8558 1.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4194 2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4194 2.4578 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 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -0.8558 1.5581 | + | M SVB 1 29 -0.8558 1.5581 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NI0003 | + | ID FL5FF9NI0003 |
| − | KNApSAcK_ID C00004918 | + | KNApSAcK_ID C00004918 |
| − | NAME 3,5,7-Trihydroxy-8-methoxyflavone 3-angelate | + | NAME 3,5,7-Trihydroxy-8-methoxyflavone 3-angelate |
| − | CAS_RN 122585-70-0 | + | CAS_RN 122585-70-0 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES COc(c13)c(O)cc(c1C(=O)C(OC(=O)C(C)=CC)=C(O3)c(c2)cccc2)O | + | SMILES COc(c13)c(O)cc(c1C(=O)C(OC(=O)C(C)=CC)=C(O3)c(c2)cccc2)O |
M END | M END | ||
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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
-1.6901 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6901 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5775 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5775 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0212 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0212 0.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0212 -0.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6581 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6581 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 -0.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5136 -1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2462 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2462 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 1.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4194 2.4578 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -0.8558 1.5581
S SKP 8
ID FL5FF9NI0003
KNApSAcK_ID C00004918
NAME 3,5,7-Trihydroxy-8-methoxyflavone 3-angelate
CAS_RN 122585-70-0
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES COc(c13)c(O)cc(c1C(=O)C(OC(=O)C(C)=CC)=C(O3)c(c2)cccc2)O
M END
