Mol:FL2FA8NP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0517 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0517 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0517 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0517 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5109 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5109 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0318 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0318 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0318 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0318 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5109 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5109 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5522 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5522 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5109 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5109 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0866 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0866 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6209 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6209 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6209 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6209 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0866 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0866 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5522 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5522 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5726 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5726 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0512 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0512 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0187 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0187 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5721 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5721 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0924 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0924 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0924 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0924 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0512 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0512 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5716 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5716 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4821 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4821 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6209 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6209 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0866 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0866 -0.9242 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 25 23 1 0 0 0 0 | + | 25 23 1 0 0 0 0 |
| − | 20 26 2 0 0 0 0 | + | 20 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NP0002 | + | ID FL2FA8NP0002 |
| − | KNApSAcK_ID C00008464 | + | KNApSAcK_ID C00008464 |
| − | NAME Orotinin | + | NAME Orotinin |
| − | CAS_RN 108864-16-0 | + | CAS_RN 108864-16-0 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c1)cc(c(C(O4)CC(=O)c(c24)c(O)c(C=3)c(OC(C3)(C)C)c(CC=C(C)C)2)c(O)1)O | + | SMILES c(c1)cc(c(C(O4)CC(=O)c(c24)c(O)c(C=3)c(OC(C3)(C)C)c(CC=C(C)C)2)c(O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0517 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0517 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5109 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0318 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0318 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5109 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5522 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5109 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0866 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6209 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6209 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0866 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5522 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5726 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0512 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0187 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5721 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0924 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0924 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0512 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6209 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0866 -0.9242 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
17 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 2 0 0 0 0
2 24 1 0 0 0 0
18 25 1 0 0 0 0
25 23 1 0 0 0 0
20 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FL2FA8NP0002
KNApSAcK_ID C00008464
NAME Orotinin
CAS_RN 108864-16-0
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c1)cc(c(C(O4)CC(=O)c(c24)c(O)c(C=3)c(OC(C3)(C)C)c(CC=C(C)C)2)c(O)1)O
M END
