Mol:FLICQUNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8752 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8752 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3754 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3754 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1628 0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1628 0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 -1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 -1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4209 -1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4209 -1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2869 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2869 -1.5150 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 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 1.6609 -0.7211 | + | M SVB 1 23 1.6609 -0.7211 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICQUNS0001 | + | ID FLICQUNS0001 |
| − | KNApSAcK_ID C00002511 | + | KNApSAcK_ID C00002511 |
| − | NAME Bowdichione | + | NAME Bowdichione |
| − | CAS_RN 53774-75-7 | + | CAS_RN 53774-75-7 |
| − | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
| − | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
| − | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
| − | SMILES COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5150 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
18 19 2 0 0 0 0
15 20 2 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
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 1.6609 -0.7211
S SKP 8
ID FLICQUNS0001
KNApSAcK_ID C00002511
NAME Bowdichione
CAS_RN 53774-75-7
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
