Mol:FLIAALNI0014
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7265 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7265 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0576 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0576 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0548 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0548 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0548 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0548 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2443 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2443 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2443 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2443 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0576 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2826 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2826 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8385 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8385 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7263 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7263 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7263 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7263 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2824 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2824 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8385 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8385 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 -0.0609 0.0000 O 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0014 | + | ID FLIAALNI0014 |
| − | KNApSAcK_ID C00009903 | + | KNApSAcK_ID C00009903 |
| − | NAME 2,3-Dehydrokievitol | + | NAME 2,3-Dehydrokievitol |
| − | CAS_RN 104363-17-9 | + | CAS_RN 104363-17-9 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c3O)(C1=O)c(c(CC=C(CO)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 | + | SMILES c(c3O)(C1=O)c(c(CC=C(CO)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 |
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 29 0 0 0 0 0 0 0 0999 V2000
-1.7265 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2826 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8385 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7263 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7263 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2824 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8385 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 -0.0609 0.0000 O 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 2 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
16 27 1 0 0 0 0
S SKP 8
ID FLIAALNI0014
KNApSAcK_ID C00009903
NAME 2,3-Dehydrokievitol
CAS_RN 104363-17-9
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c3O)(C1=O)c(c(CC=C(CO)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1
M END
