Mol:FL1DA9NM0001
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 |
| − | -1.6639 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6639 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6639 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6639 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1991 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1991 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7344 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7344 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7344 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7344 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1991 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1991 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1991 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1991 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2700 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2700 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1933 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1933 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6565 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6565 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1197 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1197 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5829 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5829 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0461 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0461 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0461 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0461 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5829 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5829 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1197 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1197 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2700 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2700 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0461 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0461 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2700 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2700 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1991 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1991 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6635 1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6635 1.2070 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 1 0 0 0 0 | + | 10 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 |
| − | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NM0001 | + | ID FL1DA9NM0001 |
| − | KNApSAcK_ID C00007994 | + | KNApSAcK_ID C00007994 |
| − | NAME 3'-Formyl-2',4',6'-trihydroxydihydrochalcone | + | NAME 3'-Formyl-2',4',6'-trihydroxydihydrochalcone |
| − | CAS_RN 135383-81-2 | + | CAS_RN 135383-81-2 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c1 | + | SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(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
-1.6639 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6639 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2700 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1933 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1197 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5829 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0461 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0461 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5829 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1197 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2700 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2700 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6635 1.2070 0.0000 O 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
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
S SKP 8
ID FL1DA9NM0001
KNApSAcK_ID C00007994
NAME 3'-Formyl-2',4',6'-trihydroxydihydrochalcone
CAS_RN 135383-81-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c1
M END
