Mol:FL1CHYNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2339 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2339 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5650 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5650 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0087 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0087 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5474 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5474 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1035 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1035 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2255 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2255 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2255 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2255 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1035 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1035 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5650 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5650 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5474 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5474 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 -0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 -0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2224 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2224 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2224 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2224 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1140 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1140 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3995 -0.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3995 -0.8991 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 11 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -6.2962 3.7563 | + | M SBV 1 27 -6.2962 3.7563 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNF0002 | + | ID FL1CHYNF0002 |
| − | KNApSAcK_ID C00007017 | + | KNApSAcK_ID C00007017 |
| − | NAME Ovalitenone | + | NAME Ovalitenone |
| − | CAS_RN 64280-22-4 | + | CAS_RN 64280-22-4 |
| − | FORMULA C19H14O6 | + | FORMULA C19H14O6 |
| − | EXACTMASS 338.07903818 | + | EXACTMASS 338.07903818 |
| − | AVERAGEMASS 338.31086000000005 | + | AVERAGEMASS 338.31086000000005 |
| − | SMILES c(c43)(OCO4)ccc(c3)C(=O)CC(c(c2OC)ccc(c21)occ1)=O | + | SMILES c(c43)(OCO4)ccc(c3)C(=O)CC(c(c2OC)ccc(c21)occ1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.2339 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0087 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2255 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2255 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2224 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2224 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3995 -0.8991 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 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 2 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 13 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -6.2962 3.7563
S SKP 8
ID FL1CHYNF0002
KNApSAcK_ID C00007017
NAME Ovalitenone
CAS_RN 64280-22-4
FORMULA C19H14O6
EXACTMASS 338.07903818
AVERAGEMASS 338.31086000000005
SMILES c(c43)(OCO4)ccc(c3)C(=O)CC(c(c2OC)ccc(c21)occ1)=O
M END
