Mol:FL1C1ANF0003
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5554 -2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2097 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2097 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2097 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2097 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5554 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9010 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9010 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9010 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9010 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5554 -3.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -3.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5554 -0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9454 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9454 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9454 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9454 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5706 0.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5706 0.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2879 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2879 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2879 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2879 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3589 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3589 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0058 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0058 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0058 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0058 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3589 0.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3589 0.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5507 2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5507 2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2905 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2905 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5560 1.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5560 1.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8202 1.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8202 1.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1608 2.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1608 2.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5991 2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5991 2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2097 2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2097 2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3521 3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3521 3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9004 3.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9004 3.5043 0.0000 O 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 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 |
| − | 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 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 18 22 1 1 0 0 0 | + | 18 22 1 1 0 0 0 |
| − | 19 23 1 6 0 0 0 | + | 19 23 1 6 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 FL1C1ANF0003 | + | ID FL1C1ANF0003 |
| − | KNApSAcK_ID C00011118 | + | KNApSAcK_ID C00011118 |
| − | NAME Brosimacutin G | + | NAME Brosimacutin G |
| − | CAS_RN 350221-50-0 | + | CAS_RN 350221-50-0 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES C(C)(C)(O)C(C3O)Oc(c23)ccc(c2O)C(=O)C=Cc(c1)ccc(O)c1 | + | SMILES C(C)(C)(O)C(C3O)Oc(c23)ccc(c2O)C(=O)C=Cc(c1)ccc(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/
26 28 0 0 0 0 0 0 0 0999 V2000
1.5554 -2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2097 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2097 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -3.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9454 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9454 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5706 0.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2879 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2879 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3589 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0058 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0058 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3589 0.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5507 2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5560 1.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8202 1.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1608 2.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5991 2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3521 3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9004 3.5043 0.0000 O 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 2 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
13 21 1 0 0 0 0
18 22 1 1 0 0 0
19 23 1 6 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 FL1C1ANF0003
KNApSAcK_ID C00011118
NAME Brosimacutin G
CAS_RN 350221-50-0
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES C(C)(C)(O)C(C3O)Oc(c23)ccc(c2O)C(=O)C=Cc(c1)ccc(O)c1
M END
