Mol:FL3FQUNM0001
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 |
| − | -1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7291 0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7291 0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0314 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0314 -0.7481 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 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 2 0 0 0 0 | + | 1 18 2 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 1 0 0 0 | + | 6 20 1 1 0 0 0 |
| − | 6 21 1 6 0 0 0 | + | 6 21 1 6 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FQUNM0001 | + | ID FL3FQUNM0001 |
| − | KNApSAcK_ID C00001035 | + | KNApSAcK_ID C00001035 |
| − | NAME Dasytrichone | + | NAME Dasytrichone |
| − | CAS_RN 151655-69-5 | + | CAS_RN 151655-69-5 |
| − | FORMULA C18H16O4 | + | FORMULA C18H16O4 |
| − | EXACTMASS 296.104859 | + | EXACTMASS 296.104859 |
| − | AVERAGEMASS 296.31723999999997 | + | AVERAGEMASS 296.31723999999997 |
| − | SMILES O(C=2c(c3)cccc3)C(=C(C(=O)C2)1)C(C(C(=C1O)C)=O)(C)C | + | SMILES O(C=2c(c3)cccc3)C(=C(C(=O)C2)1)C(C(C(=C1O)C)=O)(C)C |
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
-1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0314 -0.7481 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 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
3 17 1 0 0 0 0
1 18 2 0 0 0 0
7 19 2 0 0 0 0
6 20 1 1 0 0 0
6 21 1 6 0 0 0
2 22 1 0 0 0 0
S SKP 8
ID FL3FQUNM0001
KNApSAcK_ID C00001035
NAME Dasytrichone
CAS_RN 151655-69-5
FORMULA C18H16O4
EXACTMASS 296.104859
AVERAGEMASS 296.31723999999997
SMILES O(C=2c(c3)cccc3)C(=C(C(=O)C2)1)C(C(C(=C1O)C)=O)(C)C
M END
