Mol:FL1D1ANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.2228 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2228 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8771 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8771 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8771 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8771 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2228 -1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2228 -1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5684 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5684 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5684 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5684 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2228 -3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2228 -3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2228 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2228 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6127 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6127 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6127 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6127 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2380 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2380 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0447 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0447 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0447 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0447 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6915 1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6915 1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3384 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3384 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3384 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3384 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6915 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6915 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4876 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4876 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8771 1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8771 1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6915 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6915 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0071 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0071 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4980 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4980 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0071 3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0071 3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5371 3.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5371 3.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0071 3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0071 3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5265 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5265 3.5250 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 |
| − | 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 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1ANI0003 | + | ID FL1D1ANI0003 |
| − | KNApSAcK_ID C00011119 | + | KNApSAcK_ID C00011119 |
| − | NAME Brosimacutin H | + | NAME Brosimacutin H |
| − | CAS_RN 350221-45-3 | + | CAS_RN 350221-45-3 |
| − | FORMULA C20H24O6 | + | FORMULA C20H24O6 |
| − | EXACTMASS 360.1572885 | + | EXACTMASS 360.1572885 |
| − | AVERAGEMASS 360.40096 | + | AVERAGEMASS 360.40096 |
| − | SMILES c(c2O)(ccc(c2CC(O)C(C)(C)O)O)C(=O)CCc(c1)ccc(O)c1 | + | SMILES c(c2O)(ccc(c2CC(O)C(C)(C)O)O)C(=O)CCc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
1.2228 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4876 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8771 1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5371 3.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5265 3.5250 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
1 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 2 0 0 0 0
10 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
13 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL1D1ANI0003
KNApSAcK_ID C00011119
NAME Brosimacutin H
CAS_RN 350221-45-3
FORMULA C20H24O6
EXACTMASS 360.1572885
AVERAGEMASS 360.40096
SMILES c(c2O)(ccc(c2CC(O)C(C)(C)O)O)C(=O)CCc(c1)ccc(O)c1
M END
