Mol:FL3FALNP0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5474 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5474 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5474 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5474 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0089 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0089 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5652 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5652 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5652 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5652 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0089 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0089 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1215 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1215 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6778 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6778 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6778 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6778 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1215 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1215 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1215 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1215 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2339 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2339 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8009 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8009 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3679 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3679 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3679 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3679 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8009 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8009 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2339 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2339 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8814 1.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8814 1.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0089 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0089 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0089 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0089 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5474 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5474 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1037 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1037 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1037 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1037 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2167 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2167 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1037 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1037 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7716 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7716 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3265 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3265 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8814 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8814 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3265 1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3265 1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6671 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6671 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6621 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6621 0.6360 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 24 1 0 0 0 0 | + | 31 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0003 | + | ID FL3FALNP0003 |
| − | KNApSAcK_ID C00004038 | + | KNApSAcK_ID C00004038 |
| − | NAME Brosimone G | + | NAME Brosimone G |
| − | CAS_RN 123064-84-6 | + | CAS_RN 123064-84-6 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(C(=C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)(c1)c(O)cc(O)c1 | + | SMILES c(C(=C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)(c1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.5474 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5474 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5652 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5652 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6778 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6778 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3679 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3679 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8814 1.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5474 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2167 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7716 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3265 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3265 1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6621 0.6360 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
17 30 1 0 0 0 0
22 31 1 0 0 0 0
31 24 1 0 0 0 0
S SKP 8
ID FL3FALNP0003
KNApSAcK_ID C00004038
NAME Brosimone G
CAS_RN 123064-84-6
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(C(=C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)(c1)c(O)cc(O)c1
M END
