Mol:FL4DA9NS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9923 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9923 -0.8765 0.0000 C 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 6 0 0 0 | + | 8 14 1 6 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0007 | + | ID FL4DA9NS0007 |
| − | KNApSAcK_ID C00008732 | + | KNApSAcK_ID C00008732 |
| − | NAME (2R,3S)-Pinobanksin 3-acetate | + | NAME (2R,3S)-Pinobanksin 3-acetate |
| − | CAS_RN 102092-27-3 | + | CAS_RN 102092-27-3 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1 | + | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9923 -0.8765 0.0000 C 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 6 0 0 0
9 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL4DA9NS0007
KNApSAcK_ID C00008732
NAME (2R,3S)-Pinobanksin 3-acetate
CAS_RN 102092-27-3
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1
M END
