Mol:FLIBALNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 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 |
| − | -0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 -0.5778 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 |
| − | 0.1635 -0.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1635 -0.8038 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.6609 -0.7426 | + | M SVB 1 23 1.6609 -0.7426 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNS0003 | + | ID FLIBALNS0003 |
| − | KNApSAcK_ID C00002524 | + | KNApSAcK_ID C00002524 |
| − | NAME Ferreirin | + | NAME Ferreirin |
| − | CAS_RN 32898-79-6 | + | CAS_RN 32898-79-6 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)cc(O)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 | + | SMILES COc(c3)cc(O)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/
22 24 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
-0.3739 -0.5778 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
0.1635 -0.8038 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
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
14 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.6609 -0.7426
S SKP 8
ID FLIBALNS0003
KNApSAcK_ID C00002524
NAME Ferreirin
CAS_RN 32898-79-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M END
