Mol:FL1DA9NM0003
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6228 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6228 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6228 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6228 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1580 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1580 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6933 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6933 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6933 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6933 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1580 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1580 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1580 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1580 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2289 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2289 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2343 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2343 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6975 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6975 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1608 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1608 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6240 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6240 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0872 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0872 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0872 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0872 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6240 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6240 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1608 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1608 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2289 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2289 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0050 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0050 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2289 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2289 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0872 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0872 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1580 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1580 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6224 1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 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 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NM0003 | + | ID FL1DA9NM0003 |
| − | KNApSAcK_ID C00007996 | + | KNApSAcK_ID C00007996 |
| − | NAME 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone | + | NAME 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone |
| − | CAS_RN 133034-13-6 | + | CAS_RN 133034-13-6 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c(C)1 | + | SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.6228 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6228 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6975 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0872 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 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
2 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
S SKP 8
ID FL1DA9NM0003
KNApSAcK_ID C00007996
NAME 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone
CAS_RN 133034-13-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c(C)1
M END
