Mol:FL5FDCNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1401 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1401 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8085 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6745 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6745 -1.4911 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 0.1527 -0.6761 | + | M SVB 2 27 0.1527 -0.6761 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.64 0.77 | + | M SVB 1 25 -2.64 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNS0004 | + | ID FL5FDCNS0004 |
| − | KNApSAcK_ID C00005047 | + | KNApSAcK_ID C00005047 |
| − | NAME 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone | + | NAME 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| − | CAS_RN 93655-95-9 | + | CAS_RN 93655-95-9 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1401 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6745 -1.4911 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 0.1527 -0.6761
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.64 0.77
S SKP 8
ID FL5FDCNS0004
KNApSAcK_ID C00005047
NAME 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone
CAS_RN 93655-95-9
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1
M END
