Mol:FL5F2CNP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3526 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3526 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7210 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7210 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 -1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 -1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8096 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8096 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4412 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4412 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7127 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5382 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5382 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1018 -2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1018 -2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4702 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4702 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1987 -0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1987 -0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8254 -2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8254 -2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1099 -1.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1099 -1.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3866 -2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3866 -2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0388 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0388 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4143 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4143 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1376 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1376 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4854 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4854 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3442 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3442 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6157 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6157 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2556 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2556 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6241 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6241 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5270 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5270 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8873 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8873 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4328 -2.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4328 -2.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0519 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0519 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 -1.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 -1.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5244 -2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5244 -2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9470 -3.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9470 -3.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2538 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 -1.0341 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -2.6196 -0.6216 | + | M SVB 2 33 -2.6196 -0.6216 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 0.5189 -0.9193 | + | M SVB 1 31 0.5189 -0.9193 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2CNP0001 | + | ID FL5F2CNP0001 |
| − | KNApSAcK_ID C00005085 | + | KNApSAcK_ID C00005085 |
| − | NAME 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone | + | NAME 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone |
| − | CAS_RN 77970-06-0 | + | CAS_RN 77970-06-0 |
| − | FORMULA C23H20O7 | + | FORMULA C23H20O7 |
| − | EXACTMASS 408.120902994 | + | EXACTMASS 408.120902994 |
| − | AVERAGEMASS 408.40070000000003 | + | AVERAGEMASS 408.40070000000003 |
| − | SMILES c(c54)c(ccc4OCO5)C(O1)=C(C(=O)c(c3)c1c(C=2)c(c(OC)3)OC(C2)(C)C)OC | + | SMILES c(c54)c(ccc4OCO5)C(O1)=C(C(=O)c(c3)c1c(C=2)c(c(OC)3)OC(C2)(C)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.3526 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 -1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8096 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5382 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 -2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4702 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1987 -0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8254 -2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 -1.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 -2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0388 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4143 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3442 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6157 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2556 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6241 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5270 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8873 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 -2.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0519 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 -1.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5244 -2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9470 -3.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2538 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 -1.0341 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -2.6196 -0.6216
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 0.5189 -0.9193
S SKP 8
ID FL5F2CNP0001
KNApSAcK_ID C00005085
NAME 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone
CAS_RN 77970-06-0
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES c(c54)c(ccc4OCO5)C(O1)=C(C(=O)c(c3)c1c(C=2)c(c(OC)3)OC(C2)(C)C)OC
M END
