Mol:FLIBALNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6966 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1968 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1968 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3421 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3421 -0.9792 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 1 0 0 0 0 | + | 8 9 1 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 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNS0002 | + | ID FLIBALNS0002 |
| − | KNApSAcK_ID C00002520 | + | KNApSAcK_ID C00002520 |
| − | NAME (+-)-Dalbergioidin | + | NAME (+-)-Dalbergioidin |
| − | CAS_RN 30368-42-4 | + | CAS_RN 30368-42-4 |
| − | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
| − | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
| − | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
| − | SMILES Oc(c3)cc(O)c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(O)c1 | + | SMILES Oc(c3)cc(O)c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6966 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3421 -0.9792 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 1 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 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 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
S SKP 8
ID FLIBALNS0002
KNApSAcK_ID C00002520
NAME (+-)-Dalbergioidin
CAS_RN 30368-42-4
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)cc(O)c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
