Mol:FL4DA9NS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3208 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3208 -1.1361 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 1 0 0 0 | + | 8 14 1 1 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0008 | + | ID FL4DA9NS0008 |
| − | KNApSAcK_ID C00008733 | + | KNApSAcK_ID C00008733 |
| − | NAME Pinobanksin 3-propionate | + | NAME Pinobanksin 3-propionate |
| − | CAS_RN 126394-70-5 | + | CAS_RN 126394-70-5 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1 | + | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3208 -1.1361 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 1 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
23 24 1 0 0 0 0
S SKP 8
ID FL4DA9NS0008
KNApSAcK_ID C00008733
NAME Pinobanksin 3-propionate
CAS_RN 126394-70-5
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1
M END
