Mol:FL3F1ANI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.5907 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5907 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9437 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9437 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9437 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9437 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5907 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5907 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2377 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2377 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2377 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2377 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2967 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2967 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3502 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3502 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3502 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3502 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2967 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2967 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2967 -2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2967 -2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1153 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1153 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7161 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7161 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3170 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3170 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3170 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3170 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7161 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7161 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1153 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1153 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8366 1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8366 1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8366 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8366 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5907 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5907 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2675 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2675 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7267 0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7267 0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2675 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2675 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7404 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7404 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2675 2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2675 2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8132 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8132 1.8044 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 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 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 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 5 1 0 0 0 0 | + | 19 5 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 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 FL3F1ANI0003 | + | ID FL3F1ANI0003 |
| − | KNApSAcK_ID C00011117 | + | KNApSAcK_ID C00011117 |
| − | NAME Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 350221-42-0 | + | CAS_RN 350221-42-0 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1 | + | SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1 |
M END | M END | ||
| − | |||
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
-1.5907 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7161 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7161 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8366 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7267 0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7404 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8132 1.8044 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 2 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
12 9 1 0 0 0 0
15 18 1 0 0 0 0
19 5 1 0 0 0 0
4 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 FL3F1ANI0003
KNApSAcK_ID C00011117
NAME Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 350221-42-0
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1
M END
