Mol:FLIB1LNF0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4407 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4407 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7349 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7349 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6413 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6413 0.7595 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 14 1 0 0 0 0 | + | 24 14 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -5.1783 5.2570 | + | M SBV 1 29 -5.1783 5.2570 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNF0005 | + | ID FLIB1LNF0005 |
| − | KNApSAcK_ID C00009551 | + | KNApSAcK_ID C00009551 |
| − | NAME Erosenone | + | NAME Erosenone |
| − | CAS_RN 66280-22-6 | + | CAS_RN 66280-22-6 |
| − | FORMULA C19H14O7 | + | FORMULA C19H14O7 |
| − | EXACTMASS 354.073952802 | + | EXACTMASS 354.073952802 |
| − | AVERAGEMASS 354.31026 | + | AVERAGEMASS 354.31026 |
| − | SMILES c(c54)(occ5)cc(c3c4)OCC(C3=O)c(c(OC)2)c(c(c1c2)OCO1)O | + | SMILES c(c54)(occ5)cc(c3c4)OCC(C3=O)c(c(OC)2)c(c(c1c2)OCO1)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/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6413 0.7595 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 11 2 0 0 0 0
7 17 2 0 0 0 0
12 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 14 1 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -5.1783 5.2570
S SKP 8
ID FLIB1LNF0005
KNApSAcK_ID C00009551
NAME Erosenone
CAS_RN 66280-22-6
FORMULA C19H14O7
EXACTMASS 354.073952802
AVERAGEMASS 354.31026
SMILES c(c54)(occ5)cc(c3c4)OCC(C3=O)c(c(OC)2)c(c(c1c2)OCO1)O
M END
