Mol:FLIA19NM0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5950 1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5950 1.6390 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA19NM0004 | + | ID FLIA19NM0004 |
| − | KNApSAcK_ID C00009396 | + | KNApSAcK_ID C00009396 |
| − | NAME Glyzarin | + | NAME Glyzarin |
| − | CAS_RN 62820-28-4 | + | CAS_RN 62820-28-4 |
| − | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
| − | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
| − | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
| − | SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O | + | SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5950 1.6390 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
8 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
9 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
S SKP 8
ID FLIA19NM0004
KNApSAcK_ID C00009396
NAME Glyzarin
CAS_RN 62820-28-4
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O
M END
