Mol:FLIBALNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.2883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.2883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9474 -0.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9474 -0.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2869 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2869 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2393 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2393 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1053 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1053 -1.5365 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.0878 -0.4264 | + | M SVB 2 24 -0.0878 -0.4264 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 1.6609 -0.7426 | + | M SVB 1 22 1.6609 -0.7426 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNS0004 | + | ID FLIBALNS0004 |
| − | KNApSAcK_ID C00002535 | + | KNApSAcK_ID C00002535 |
| − | NAME Homoferreirin | + | NAME Homoferreirin |
| − | CAS_RN 482-01-9 | + | CAS_RN 482-01-9 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 | + | SMILES COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.2883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9474 -0.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2393 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1053 -1.5365 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.0878 -0.4264
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.6609 -0.7426
S SKP 8
ID FLIBALNS0004
KNApSAcK_ID C00002535
NAME Homoferreirin
CAS_RN 482-01-9
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M END
