Mol:FL7ABGNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7471 0.0000 C 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -7.9640 7.5490 | + | M SBV 1 24 -7.9640 7.5490 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ABGNS0001 | + | ID FL7ABGNS0001 |
| − | KNApSAcK_ID C00006617 | + | KNApSAcK_ID C00006617 |
| − | NAME Pulchellidin | + | NAME Pulchellidin |
| − | CAS_RN 19077-86-2 | + | CAS_RN 19077-86-2 |
| − | FORMULA C16H13O7 | + | FORMULA C16H13O7 |
| − | EXACTMASS 317.06612777 | + | EXACTMASS 317.06612777 |
| − | AVERAGEMASS 317.27022 | + | AVERAGEMASS 317.27022 |
| − | SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1 | + | SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7471 0.0000 C 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
13 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -7.9640 7.5490
S SKP 8
ID FL7ABGNS0001
KNApSAcK_ID C00006617
NAME Pulchellidin
CAS_RN 19077-86-2
FORMULA C16H13O7
EXACTMASS 317.06612777
AVERAGEMASS 317.27022
SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1
M END
