Mol:FL1C1CNP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8620 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8620 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8620 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8620 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3057 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3057 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7494 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7494 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7494 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7494 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3057 0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3057 0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1931 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1931 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3632 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3632 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9193 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9193 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4754 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4754 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0364 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0364 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5974 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5974 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5974 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5974 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0364 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0364 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4754 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4754 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1931 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1931 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3057 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3057 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4183 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4183 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9746 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9746 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9746 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9746 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4183 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4183 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3120 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3120 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5942 0.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5942 0.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2135 -0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2135 -0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5942 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5942 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2135 0.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2135 0.7162 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 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 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 13 1 0 0 0 0 | + | 26 13 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNP0001 | + | ID FL1C1CNP0001 |
| − | KNApSAcK_ID C00007034 | + | KNApSAcK_ID C00007034 |
| − | NAME Glabrachromene II | + | NAME Glabrachromene II |
| − | CAS_RN 51848-09-0 | + | CAS_RN 51848-09-0 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES c(c34)cc(cc3OCO4)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O | + | SMILES c(c34)cc(cc3OCO4)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.8620 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7494 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7494 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9193 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4754 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0364 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0364 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4754 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4183 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9746 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9746 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4183 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3120 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5942 0.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2135 -0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5942 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2135 0.7162 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 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 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 13 1 0 0 0 0
S SKP 8
ID FL1C1CNP0001
KNApSAcK_ID C00007034
NAME Glabrachromene II
CAS_RN 51848-09-0
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES c(c34)cc(cc3OCO4)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O
M END
