Mol:FL1DA9NS0004
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 |
| − | -2.0176 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0176 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0176 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0176 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4636 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4636 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9096 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9096 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9096 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9096 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4636 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4636 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3559 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3559 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1966 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1966 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7480 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7480 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2981 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2981 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8365 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8365 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3749 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3749 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3749 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3749 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8365 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8365 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2981 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2981 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3559 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3559 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4636 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4636 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3749 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3749 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8750 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8750 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3559 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3559 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3586 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3586 0.3973 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -0.3559 0.8098 | + | M SVB 2 21 -0.3559 0.8098 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -2.3749 1.1088 | + | M SVB 1 19 -2.3749 1.1088 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NS0004 | + | ID FL1DA9NS0004 |
| − | KNApSAcK_ID C00007931 | + | KNApSAcK_ID C00007931 |
| − | NAME Dihydroflavokawin B | + | NAME Dihydroflavokawin B |
| − | CAS_RN 3791-76-2 | + | CAS_RN 3791-76-2 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)cccc2)c(O)1 | + | SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)cccc2)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
-2.0176 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0176 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1966 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8750 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 0.3973 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -0.3559 0.8098
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -2.3749 1.1088
S SKP 8
ID FL1DA9NS0004
KNApSAcK_ID C00007931
NAME Dihydroflavokawin B
CAS_RN 3791-76-2
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)cccc2)c(O)1
M END
