Mol:FLIE1ANI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3338 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3338 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9659 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9659 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9659 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9659 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3729 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3729 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5589 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5589 -2.1856 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANI0003 | + | ID FLIE1ANI0003 |
| − | KNApSAcK_ID C00010050 | + | KNApSAcK_ID C00010050 |
| − | NAME Isosojagol | + | NAME Isosojagol |
| − | CAS_RN 94390-15-5 | + | CAS_RN 94390-15-5 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(O)(c4)ccc(c41)c(o3)c(c(c32)ccc(O)c(CC=C(C)C)2)C(=O)O1 | + | SMILES c(O)(c4)ccc(c41)c(o3)c(c(c32)ccc(O)c(CC=C(C)C)2)C(=O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0044 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9659 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9659 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5589 -2.1856 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 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
9 17 2 0 0 0 0
7 18 1 0 0 0 0
19 1 1 0 0 0 0
12 18 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FLIE1ANI0003
KNApSAcK_ID C00010050
NAME Isosojagol
CAS_RN 94390-15-5
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(O)(c4)ccc(c41)c(o3)c(c(c32)ccc(O)c(CC=C(C)C)2)C(=O)O1
M END
