Mol:FL1A3CNS0001
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 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2456 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3230 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3230 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 0.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 0.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8032 0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8032 0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1187 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1187 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0026 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0026 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2037 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2037 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5311 -1.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5311 -1.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 1.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 1.1114 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1A3CNS0001 | + | ID FL1A3CNS0001 |
| − | KNApSAcK_ID C00008029 | + | KNApSAcK_ID C00008029 |
| − | NAME Maritimetin | + | NAME Maritimetin |
| − | CAS_RN 576-02-3 | + | CAS_RN 576-02-3 |
| − | FORMULA C15H10O6 | + | FORMULA C15H10O6 |
| − | EXACTMASS 286.047738052 | + | EXACTMASS 286.047738052 |
| − | AVERAGEMASS 286.2363 | + | AVERAGEMASS 286.2363 |
| − | SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c2)c1c(O)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c2)c1c(O)c(O)c2 |
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 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -1.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 1.1114 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
16 20 1 0 0 0 0
3 21 1 0 0 0 0
S SKP 8
ID FL1A3CNS0001
KNApSAcK_ID C00008029
NAME Maritimetin
CAS_RN 576-02-3
FORMULA C15H10O6
EXACTMASS 286.047738052
AVERAGEMASS 286.2363
SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c2)c1c(O)c(O)c2
M END
