Mol:FL3FACNI0002
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 |
| − | -1.1300 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1300 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6861 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6861 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6861 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6861 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2422 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2422 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3520 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3520 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 1.7816 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNI0002 | + | ID FL3FACNI0002 |
| − | KNApSAcK_ID C00004096 | + | KNApSAcK_ID C00004096 |
| − | NAME Demethyltorosaflavone D | + | NAME Demethyltorosaflavone D |
| − | CAS_RN 145194-16-7 | + | CAS_RN 145194-16-7 |
| − | FORMULA C18H12O8 | + | FORMULA C18H12O8 |
| − | EXACTMASS 356.05321735999996 | + | EXACTMASS 356.05321735999996 |
| − | AVERAGEMASS 356.28308 | + | AVERAGEMASS 356.28308 |
| − | SMILES O(C(c(c3)cc(O)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)C=CC(O)=O)O | + | SMILES O(C(c(c3)cc(O)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)C=CC(O)=O)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.1300 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 1.7816 0.0000 O 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
15 24 1 0 0 0 0
3 25 1 0 0 0 0
16 26 1 0 0 0 0
S SKP 8
ID FL3FACNI0002
KNApSAcK_ID C00004096
NAME Demethyltorosaflavone D
CAS_RN 145194-16-7
FORMULA C18H12O8
EXACTMASS 356.05321735999996
AVERAGEMASS 356.28308
SMILES O(C(c(c3)cc(O)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)C=CC(O)=O)O
M END
