Mol:FL1AACNS0001
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 |
| − | -1.2456 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2456 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3230 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3230 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 0.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 0.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8032 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8032 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1187 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1187 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0026 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0026 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2037 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2037 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5311 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5311 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AACNS0001 | + | ID FL1AACNS0001 |
| − | KNApSAcK_ID C00008027 | + | KNApSAcK_ID C00008027 |
| − | NAME Aureusidin | + | NAME Aureusidin |
| − | CAS_RN 480-70-6 | + | CAS_RN 480-70-6 |
| − | FORMULA C15H10O6 | + | FORMULA C15H10O6 |
| − | EXACTMASS 286.047738052 | + | EXACTMASS 286.047738052 |
| − | AVERAGEMASS 286.2363 | + | AVERAGEMASS 286.2363 |
| − | SMILES Oc(c3)cc(o1)c(c(O)3)c(=O)c(=Cc(c2)cc(O)c(O)c2)1 | + | SMILES Oc(c3)cc(o1)c(c(O)3)c(=O)c(=Cc(c2)cc(O)c(O)c2)1 |
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
-1.2456 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
S SKP 8
ID FL1AACNS0001
KNApSAcK_ID C00008027
NAME Aureusidin
CAS_RN 480-70-6
FORMULA C15H10O6
EXACTMASS 286.047738052
AVERAGEMASS 286.2363
SMILES Oc(c3)cc(o1)c(c(O)3)c(=O)c(=Cc(c2)cc(O)c(O)c2)1
M END
