Mol:FL1DA9NM0006
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 |
| − | 2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1693 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1693 0.6283 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 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 9 16 2 0 0 0 0 | + | 9 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 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 -7.8423 5.4958 | + | M SBV 1 21 -7.8423 5.4958 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NM0006 | + | ID FL1DA9NM0006 |
| − | KNApSAcK_ID C00008117 | + | KNApSAcK_ID C00008117 |
| − | NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H | + | NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H |
| − | CAS_RN 143502-00-5 | + | CAS_RN 143502-00-5 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1 | + | SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(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
2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1693 0.6283 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
6 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
9 16 2 0 0 0 0
13 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
11 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 -7.8423 5.4958
S SKP 8
ID FL1DA9NM0006
KNApSAcK_ID C00008117
NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H
CAS_RN 143502-00-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1
M END
