Mol:FLIFHXNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 32 0 0 0 0 0 0 0 0999 V2000 | + | 27 32 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 3 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.5657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 1.2080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4788 1.2080 0.0000 C 0 0 3 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 |
| − | 1.6567 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6567 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0351 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0351 1.5292 0.0000 C 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 |
| − | 0.4747 -0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4747 -0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4706 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4706 -1.4343 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 14 1 0 0 0 0 | + | 25 14 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 0.0672 0.3908 | + | M SVB 1 31 0.0672 0.3908 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNF0002 | + | ID FLIFHXNF0002 |
| − | KNApSAcK_ID C00009583 | + | KNApSAcK_ID C00009583 |
| − | NAME 12a-Methoxydolineone | + | NAME 12a-Methoxydolineone |
| − | CAS_RN 54534-96-2 | + | CAS_RN 54534-96-2 |
| − | FORMULA C20H14O7 | + | FORMULA C20H14O7 |
| − | EXACTMASS 366.073952802 | + | EXACTMASS 366.073952802 |
| − | AVERAGEMASS 366.32096 | + | AVERAGEMASS 366.32096 |
| − | SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(O6)c(OC6)5)1)cc(c2)c(oc2)c1 | + | SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(O6)c(OC6)5)1)cc(c2)c(oc2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 32 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 3 0 0 0 0 0 0 0 0 0
0.4788 1.2080 0.0000 C 0 0 3 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
1.6567 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 1.5292 0.0000 C 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
0.4747 -0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4706 -1.4343 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
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 14 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 0.0672 0.3908
S SKP 8
ID FLIFHXNF0002
KNApSAcK_ID C00009583
NAME 12a-Methoxydolineone
CAS_RN 54534-96-2
FORMULA C20H14O7
EXACTMASS 366.073952802
AVERAGEMASS 366.32096
SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(O6)c(OC6)5)1)cc(c2)c(oc2)c1
M END
