Mol:FLIAABNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5839 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0276 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0276 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4713 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4713 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4713 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4713 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0276 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0276 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0850 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0850 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6413 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6413 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6413 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6413 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0850 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0850 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1974 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1974 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1974 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1974 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7922 -1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7922 -1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3869 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3869 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3869 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3869 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7922 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7922 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0850 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0850 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0276 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0276 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1402 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1402 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6965 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6965 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6965 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6965 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1402 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1402 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3384 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3384 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6965 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6965 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2529 -1.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2529 -1.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1189 -1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1189 -1.8791 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.6239 -1.0852 | + | M SVB 1 28 2.6239 -1.0852 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAABNP0001 | + | ID FLIAABNP0001 |
| − | KNApSAcK_ID C00009495 | + | KNApSAcK_ID C00009495 |
| − | NAME 4'-O-methylalpinumisoflavone | + | NAME 4'-O-methylalpinumisoflavone |
| − | CAS_RN 27762-87-4 | + | CAS_RN 27762-87-4 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES c(c4)c(ccc(OC)4)C(=C3)C(c(c2O)c(O3)cc(c12)OC(C=C1)(C)C)=O | + | SMILES c(c4)c(ccc(OC)4)C(=C3)C(c(c2O)c(O3)cc(c12)OC(C=C1)(C)C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.5839 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4713 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4713 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6413 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6413 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 -1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3869 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3869 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3384 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2529 -1.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1189 -1.8791 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.6239 -1.0852
S SKP 8
ID FLIAABNP0001
KNApSAcK_ID C00009495
NAME 4'-O-methylalpinumisoflavone
CAS_RN 27762-87-4
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES c(c4)c(ccc(OC)4)C(=C3)C(c(c2O)c(O3)cc(c12)OC(C=C1)(C)C)=O
M END
