Mol:FL1CQUNC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1215 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1215 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1215 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1215 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6778 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6778 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2341 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2341 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2341 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2341 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6778 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6778 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0118 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0118 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5445 -0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5445 -0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5679 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5679 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1288 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1288 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5679 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5679 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1288 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1288 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2341 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2341 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2341 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2341 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 -0.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 -0.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 -1.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 -1.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5761 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5761 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9204 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9204 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6596 1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6596 1.5203 0.0000 O 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 12 18 1 1 0 0 0 | + | 12 18 1 1 0 0 0 |
| − | 13 19 1 1 0 0 0 | + | 13 19 1 1 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CQUNC0001 | + | ID FL1CQUNC0001 |
| − | KNApSAcK_ID C00007176 | + | KNApSAcK_ID C00007176 |
| − | NAME Cryptocaryone | + | NAME Cryptocaryone |
| − | CAS_RN 39012-05-0 | + | CAS_RN 39012-05-0 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES O=C(O3)CC(C13)C(=C(O)C=Cc(c2)cccc2)C(=O)C=C1 | + | SMILES O=C(O3)CC(C13)C(=C(O)C=Cc(c2)cccc2)C(=O)C=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
1.1215 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6778 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6778 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0118 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5445 -0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5679 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1288 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5679 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1288 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 -0.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 -1.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5761 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6596 1.5203 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
2 8 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 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 10 1 0 0 0 0
16 17 2 0 0 0 0
12 18 1 1 0 0 0
13 19 1 1 0 0 0
20 19 1 0 0 0 0
20 21 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 8
ID FL1CQUNC0001
KNApSAcK_ID C00007176
NAME Cryptocaryone
CAS_RN 39012-05-0
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES O=C(O3)CC(C13)C(=C(O)C=Cc(c2)cccc2)C(=O)C=C1
M END
