Mol:FLIBALNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6966 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -1.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -1.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1968 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1968 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 -1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 -1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2025 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2025 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1154 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1154 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3421 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3421 -1.8429 0.0000 O 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0001 | + | ID FLIBALNI0001 |
| − | KNApSAcK_ID C00002541 | + | KNApSAcK_ID C00002541 |
| − | NAME Kievitone | + | NAME Kievitone |
| − | CAS_RN 40105-60-0 | + | CAS_RN 40105-60-0 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(O)cc(O)c2)1 | + | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.6966 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -1.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1154 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3421 -1.8429 0.0000 O 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 2 0 0 0 0
16 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
14 26 1 0 0 0 0
S SKP 8
ID FLIBALNI0001
KNApSAcK_ID C00002541
NAME Kievitone
CAS_RN 40105-60-0
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(O)cc(O)c2)1
M END
