Mol:FL4DAJNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7205 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7205 0.6435 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 25 -7.8764 4.6941 | + | M SBV 1 25 -7.8764 4.6941 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAJNS0001 | + | ID FL4DAJNS0001 |
| − | KNApSAcK_ID C00008590 | + | KNApSAcK_ID C00008590 |
| − | NAME Pallasiin | + | NAME Pallasiin |
| − | CAS_RN 88126-46-9 | + | CAS_RN 88126-46-9 |
| − | FORMULA C16H14O8 | + | FORMULA C16H14O8 |
| − | EXACTMASS 334.068867424 | + | EXACTMASS 334.068867424 |
| − | AVERAGEMASS 334.27756 | + | AVERAGEMASS 334.27756 |
| − | SMILES COc(c(O)3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c(O)3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)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
-2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.6435 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
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 13 2 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 11 1 0 0 0 0
6 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
8 21 1 1 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SBV 1 25 -7.8764 4.6941
S SKP 8
ID FL4DAJNS0001
KNApSAcK_ID C00008590
NAME Pallasiin
CAS_RN 88126-46-9
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES COc(c(O)3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
