Mol:FL2F1ANF0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.4225 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4225 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7755 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7755 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7755 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7755 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4225 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4225 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0695 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0695 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0695 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0695 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1285 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1285 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5185 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5185 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5185 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5185 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1285 0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1285 0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1285 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1285 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2835 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2835 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8844 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8844 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4852 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4852 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4852 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4852 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8844 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8844 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2835 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2835 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0048 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0048 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6122 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6122 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3442 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3442 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6070 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6070 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5798 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5798 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0048 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0048 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8365 1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8365 1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1770 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1770 1.8102 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 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 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 5 1 0 0 0 0 | + | 21 5 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANF0001 | + | ID FL2F1ANF0001 |
| − | KNApSAcK_ID C00011116 | + | KNApSAcK_ID C00011116 |
| − | NAME Brosimacutin E | + | NAME Brosimacutin E |
| − | CAS_RN 350221-49-7 | + | CAS_RN 350221-49-7 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(O2)C(C)(C)O)c1 | + | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(O2)C(C)(C)O)c1 |
M END | M END | ||
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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
-1.4225 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7755 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7755 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0695 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0695 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1285 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1285 0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1285 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2835 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8844 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4852 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4852 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8844 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2835 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0048 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6122 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6070 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5798 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8365 1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 1.8102 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
7 11 2 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
9 12 1 6 0 0 0
15 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 5 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL2F1ANF0001
KNApSAcK_ID C00011116
NAME Brosimacutin E
CAS_RN 350221-49-7
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(O2)C(C)(C)O)c1
M END
