Mol:FL1ABCNS0001
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 |
| − | -1.2456 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2456 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3230 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3230 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8032 0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8032 0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1187 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1187 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0026 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0026 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2037 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2037 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5311 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5311 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2197 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2197 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5052 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5052 -1.1006 0.0000 C 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 |
| − | 6 21 1 0 0 0 0 | + | 6 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 SBV 1 23 -5.9864 5.0154 | + | M SBV 1 23 -5.9864 5.0154 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1ABCNS0001 | + | ID FL1ABCNS0001 |
| − | KNApSAcK_ID C00008028 | + | KNApSAcK_ID C00008028 |
| − | NAME Rengasin | + | NAME Rengasin |
| − | CAS_RN 54826-89-0 | + | CAS_RN 54826-89-0 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1 | + | SMILES COc(c3)c(c(=O)1)c(cc(O)3)oc(=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/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.2456 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2197 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 -1.1006 0.0000 C 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
6 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 SBV 1 23 -5.9864 5.0154
S SKP 8
ID FL1ABCNS0001
KNApSAcK_ID C00008028
NAME Rengasin
CAS_RN 54826-89-0
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1
M END
