Mol:FL1D19NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9018 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9018 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9018 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9018 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4370 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4370 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0277 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0277 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0277 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0277 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4370 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4370 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4370 -0.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4370 -0.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4921 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4921 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9554 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9554 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4186 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4186 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8818 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8818 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3450 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3450 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8082 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8082 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8082 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8082 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3450 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3450 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8818 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8818 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4921 -0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4921 -0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2840 0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2840 0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6663 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6663 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4284 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4284 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8082 0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8082 0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4284 0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4284 0.0978 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 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 1 0 0 0 0 | + | 10 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 |
| − | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D19NI0001 | + | ID FL1D19NI0001 |
| − | KNApSAcK_ID C00008001 | + | KNApSAcK_ID C00008001 |
| − | NAME Dihydrocordoin | + | NAME Dihydrocordoin |
| − | CAS_RN 54647-07-3 | + | CAS_RN 54647-07-3 |
| − | FORMULA C20H22O3 | + | FORMULA C20H22O3 |
| − | EXACTMASS 310.15689456999996 | + | EXACTMASS 310.15689456999996 |
| − | AVERAGEMASS 310.38688 | + | AVERAGEMASS 310.38688 |
| − | SMILES c(c(C(=O)CCc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C | + | SMILES c(c(C(=O)CCc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-0.9018 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4370 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0277 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0277 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4370 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4370 -0.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4921 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9554 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4186 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4921 -0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4284 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8082 0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4284 0.0978 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
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL1D19NI0001
KNApSAcK_ID C00008001
NAME Dihydrocordoin
CAS_RN 54647-07-3
FORMULA C20H22O3
EXACTMASS 310.15689456999996
AVERAGEMASS 310.38688
SMILES c(c(C(=O)CCc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C
M END
