Mol:FL1D1ANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 20 0 0 0 0 0 0 0 0999 V2000 | + | 19 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1ANS0001 | + | ID FL1D1ANS0001 |
| − | KNApSAcK_ID C00007926 | + | KNApSAcK_ID C00007926 |
| − | NAME Davidigenin | + | NAME Davidigenin |
| − | CAS_RN 23130-26-9 | + | CAS_RN 23130-26-9 |
| − | FORMULA C15H14O4 | + | FORMULA C15H14O4 |
| − | EXACTMASS 258.089208936 | + | EXACTMASS 258.089208936 |
| − | AVERAGEMASS 258.26926000000003 | + | AVERAGEMASS 258.26926000000003 |
| − | SMILES Oc(c2)ccc(c2)CCC(=O)c(c1)c(O)cc(O)c1 | + | SMILES Oc(c2)ccc(c2)CCC(=O)c(c1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
3 19 1 0 0 0 0
S SKP 8
ID FL1D1ANS0001
KNApSAcK_ID C00007926
NAME Davidigenin
CAS_RN 23130-26-9
FORMULA C15H14O4
EXACTMASS 258.089208936
AVERAGEMASS 258.26926000000003
SMILES Oc(c2)ccc(c2)CCC(=O)c(c1)c(O)cc(O)c1
M END
