Mol:FLIA2ANS0001
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 |
| − | -1.7681 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7681 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7681 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7681 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2676 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2676 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7672 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7672 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7672 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7672 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2676 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2676 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2337 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2337 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2337 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2337 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2682 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2682 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7339 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7339 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7339 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7339 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1980 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1980 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1980 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1980 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5281 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5281 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4825 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4825 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4678 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4678 0.5828 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 |
| − | 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 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.4825 0.4121 | + | M SVB 2 23 -2.4825 0.4121 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.7681 -0.7426 | + | M SVB 1 21 1.7681 -0.7426 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2ANS0001 | + | ID FLIA2ANS0001 |
| − | KNApSAcK_ID C00002507 | + | KNApSAcK_ID C00002507 |
| − | NAME Afrormosin;Afromosin;Castanin | + | NAME Afrormosin;Afromosin;Castanin |
| − | CAS_RN 550-79-8 | + | CAS_RN 550-79-8 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1 | + | SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1 |
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
-1.7681 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7681 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2337 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2337 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2682 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4825 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 0.5828 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.4825 0.4121
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.7681 -0.7426
S SKP 8
ID FLIA2ANS0001
KNApSAcK_ID C00002507
NAME Afrormosin;Afromosin;Castanin
CAS_RN 550-79-8
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M END
