Mol:FL1DBANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1877 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1877 0.5467 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 21 -5.9413 3.7436 | + | M SBV 1 21 -5.9413 3.7436 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DBANS0001 | + | ID FL1DBANS0001 |
| − | KNApSAcK_ID C00007938 | + | KNApSAcK_ID C00007938 |
| − | NAME 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone | + | NAME 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| − | CAS_RN 111316-17-7 | + | CAS_RN 111316-17-7 |
| − | FORMULA C16H16O5 | + | FORMULA C16H16O5 |
| − | EXACTMASS 288.099773622 | + | EXACTMASS 288.099773622 |
| − | AVERAGEMASS 288.29524 | + | AVERAGEMASS 288.29524 |
| − | SMILES COc(c1)c(C(=O)CCc(c2)ccc(O)c2)c(O)cc(O)1 | + | SMILES COc(c1)c(C(=O)CCc(c2)ccc(O)c2)c(O)cc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.1885 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7422 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.5467 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
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 11 2 0 0 0 0
11 12 1 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
3 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.9413 3.7436
S SKP 8
ID FL1DBANS0001
KNApSAcK_ID C00007938
NAME 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
CAS_RN 111316-17-7
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c1)c(C(=O)CCc(c2)ccc(O)c2)c(O)cc(O)1
M END
