Mol:FL1DHXNS0004
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 |
| − | -2.5457 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5457 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3315 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3315 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0994 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0994 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3315 0.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3315 0.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3850 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3850 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0994 0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0994 0.5184 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 -6.3140 3.7347 | + | M SBV 1 21 -6.3140 3.7347 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHXNS0004 | + | ID FL1DHXNS0004 |
| − | KNApSAcK_ID C00007948 | + | KNApSAcK_ID C00007948 |
| − | NAME 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone | + | NAME 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| − | CAS_RN 114107-24-3 | + | CAS_RN 114107-24-3 |
| − | FORMULA C16H16O5 | + | FORMULA C16H16O5 |
| − | EXACTMASS 288.099773622 | + | EXACTMASS 288.099773622 |
| − | AVERAGEMASS 288.29524 | + | AVERAGEMASS 288.29524 |
| − | SMILES COc(c2)ccc(c2)CC(O)C(=O)c(c1)c(O)cc(O)c1 | + | SMILES COc(c2)ccc(c2)CC(O)C(=O)c(c1)c(O)cc(O)c1 |
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
-2.5457 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 0.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5184 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
3 18 1 0 0 0 0
8 19 1 6 0 0 0
13 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 -6.3140 3.7347
S SKP 8
ID FL1DHXNS0004
KNApSAcK_ID C00007948
NAME 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
CAS_RN 114107-24-3
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c2)ccc(c2)CC(O)C(=O)c(c1)c(O)cc(O)c1
M END
