Mol:FL63RNNS0002
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3373 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3373 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3373 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3373 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7810 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7810 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2247 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2247 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2247 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2247 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7810 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7810 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6684 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6684 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1121 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1121 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1121 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1121 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6684 0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6684 0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8146 1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8146 1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1242 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1242 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4905 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4905 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1242 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1242 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6878 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6878 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2514 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2514 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2514 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2514 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6878 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6878 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8146 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8146 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8146 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8146 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4440 -0.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4440 -0.3334 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 1 0 0 0 | + | 7 8 1 1 0 0 0 |
| − | 9 8 1 1 0 0 0 | + | 9 8 1 1 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 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63RNNS0002 | + | ID FL63RNNS0002 |
| − | KNApSAcK_ID C00009002 | + | KNApSAcK_ID C00009002 |
| − | NAME 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol | + | NAME 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| − | CAS_RN 119116-87-9 | + | CAS_RN 119116-87-9 |
| − | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
| − | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
| − | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
| − | SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c3)c(cc(O)c(O)3)2 | + | SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c3)c(cc(O)c(O)3)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.3373 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1121 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1121 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8146 1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4905 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 -0.3334 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 1 0 0 0
9 8 1 1 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
11 1 1 0 0 0 0
9 12 1 0 0 0 0
7 13 1 0 0 0 0
12 14 2 0 0 0 0
14 13 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL63RNNS0002
KNApSAcK_ID C00009002
NAME 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
CAS_RN 119116-87-9
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c3)c(cc(O)c(O)3)2
M END
