Mol:FLIDHXNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 29 0 0 0 0 0 0 0 0999 V2000 | + | 24 29 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 |
| − | 0.7589 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7589 0.5133 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 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 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNF0001 | + | ID FLIDHXNF0001 |
| − | KNApSAcK_ID C00009682 | + | KNApSAcK_ID C00009682 |
| − | NAME Neobanol | + | NAME Neobanol |
| − | CAS_RN 61419-04-3 | + | CAS_RN 61419-04-3 |
| − | FORMULA C18H12O6 | + | FORMULA C18H12O6 |
| − | EXACTMASS 324.063388116 | + | EXACTMASS 324.063388116 |
| − | AVERAGEMASS 324.28427999999997 | + | AVERAGEMASS 324.28427999999997 |
| − | SMILES c(c56)c(O1)c(cc5OCO6)C(C4)(C1c(c3)c(O4)cc(c32)occ2)O | + | SMILES c(c56)c(O1)c(cc5OCO6)C(C4)(C1c(c3)c(O4)cc(c32)occ2)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/
24 29 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
0.7589 0.5133 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 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
8 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
S SKP 8
ID FLIDHXNF0001
KNApSAcK_ID C00009682
NAME Neobanol
CAS_RN 61419-04-3
FORMULA C18H12O6
EXACTMASS 324.063388116
AVERAGEMASS 324.28427999999997
SMILES c(c56)c(O1)c(cc5OCO6)C(C4)(C1c(c3)c(O4)cc(c32)occ2)O
M END
