Mol:FL2F1CNP0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7190 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1627 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1627 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6064 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6064 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6064 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6064 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1627 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1627 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0501 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0501 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5062 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5062 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5062 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5062 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0501 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0501 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0623 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0623 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6293 -0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6293 -0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1963 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1963 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1963 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1963 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6293 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6293 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0623 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0623 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0501 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0501 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7631 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7631 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2751 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2751 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6293 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6293 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1627 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1627 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7188 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7188 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4473 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4473 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2751 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2751 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4404 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4404 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7631 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7631 0.5343 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNP0001 | + | ID FL2F1CNP0001 |
| − | KNApSAcK_ID C00008287 | + | KNApSAcK_ID C00008287 |
| − | NAME Ovaliflavanone B | + | NAME Ovaliflavanone B |
| − | CAS_RN 62868-06-8 | + | CAS_RN 62868-06-8 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES O(C1)c(c2)c(ccc(C(C5)Oc(c4C(=O)5)c(c(cc4)3)C=CC(C)(C)O3)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(C5)Oc(c4C(=O)5)c(c(cc4)3)C=CC(C)(C)O3)2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.7190 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0501 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0501 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0623 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 -0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0623 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0501 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2751 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7188 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4473 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2751 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4404 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7631 0.5343 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
20 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 0 0 0 0
24 19 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2F1CNP0001
KNApSAcK_ID C00008287
NAME Ovaliflavanone B
CAS_RN 62868-06-8
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES O(C1)c(c2)c(ccc(C(C5)Oc(c4C(=O)5)c(c(cc4)3)C=CC(C)(C)O3)2)O1
M END
