Mol:FLIDWXNF0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 23 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3449 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3449 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 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 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDWXNF0002 | + | ID FLIDWXNF0002 |
| − | KNApSAcK_ID C00009704 | + | KNApSAcK_ID C00009704 |
| − | NAME Neoduleen | + | NAME Neoduleen |
| − | CAS_RN 238-67-5 | + | CAS_RN 238-67-5 |
| − | FORMULA C18H10O5 | + | FORMULA C18H10O5 |
| − | EXACTMASS 306.05282343 | + | EXACTMASS 306.05282343 |
| − | AVERAGEMASS 306.269 | + | AVERAGEMASS 306.269 |
| − | SMILES c(c56)c(o4)c(cc5OCO6)c(c43)COc(c23)cc(c(c2)1)occ1 | + | SMILES c(c56)c(o4)c(cc5OCO6)c(c43)COc(c23)cc(c(c2)1)occ1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 28 0 0 0 0 0 0 0 0999 V2000
-2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 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 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 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
S SKP 8
ID FLIDWXNF0002
KNApSAcK_ID C00009704
NAME Neoduleen
CAS_RN 238-67-5
FORMULA C18H10O5
EXACTMASS 306.05282343
AVERAGEMASS 306.269
SMILES c(c56)c(o4)c(cc5OCO6)c(c43)COc(c23)cc(c(c2)1)occ1
M END
