Mol:FL1CA9NS0004
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 |
| − | -2.0511 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0511 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1741 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1741 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7302 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3824 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3824 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3321 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3321 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4083 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4083 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9083 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9083 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 -2.4083 1.1122 | + | M SVB 2 21 -2.4083 1.1122 |
| − | 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 -0.3824 0.8145 | + | M SVB 1 19 -0.3824 0.8145 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NS0004 | + | ID FL1CA9NS0004 |
| − | KNApSAcK_ID C00006936 | + | KNApSAcK_ID C00006936 |
| − | NAME Flavokawin B | + | NAME Flavokawin B |
| − | CAS_RN 1775-97-9 | + | CAS_RN 1775-97-9 |
| − | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
| − | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
| − | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
| − | SMILES COc(c1)cc(OC)c(C(=O)C=Cc(c2)cccc2)c(O)1 | + | SMILES COc(c1)cc(OC)c(C(=O)C=Cc(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
-2.0511 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9083 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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
5 18 1 0 0 0 0
18 19 1 0 0 0 0
1 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 -2.4083 1.1122
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 -0.3824 0.8145
S SKP 8
ID FL1CA9NS0004
KNApSAcK_ID C00006936
NAME Flavokawin B
CAS_RN 1775-97-9
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c1)cc(OC)c(C(=O)C=Cc(c2)cccc2)c(O)1
M END
