Mol:FL5FECNS0040
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7468 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7468 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7468 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7468 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1905 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1905 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6342 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6342 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6342 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6342 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1905 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1905 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0779 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0779 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4784 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4784 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4784 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4784 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0779 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0779 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0779 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0779 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0345 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0345 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6015 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6015 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1685 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1685 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1685 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1685 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6015 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6015 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0345 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0345 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3577 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3577 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7353 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7353 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3577 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3577 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1685 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1685 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1905 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1905 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3444 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3444 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2105 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2105 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3263 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3263 2.6397 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 |
| − | 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 1.8849 1.7424 | + | M SVB 2 28 1.8849 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 0.6887 -0.9641 | + | M SVB 1 26 0.6887 -0.9641 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0040 | + | ID FL5FECNS0040 |
| − | KNApSAcK_ID C00005051 | + | KNApSAcK_ID C00005051 |
| − | NAME 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone | + | NAME 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone |
| − | CAS_RN 93078-84-3 | + | CAS_RN 93078-84-3 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c12)c(O3)c(C(C(=C3c(c4)cc(OC)c(O)c4)OC)=O)c(c1OCO2)O | + | SMILES c(c12)c(O3)c(C(C(=C3c(c4)cc(OC)c(O)c4)OC)=O)c(c1OCO2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.7468 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7468 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1905 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6342 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6342 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1905 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4784 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4784 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0345 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1685 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1685 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0345 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1685 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1905 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3444 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2105 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3263 2.6397 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
15 21 1 0 0 0 0
3 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 1.8849 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 0.6887 -0.9641
S SKP 8
ID FL5FECNS0040
KNApSAcK_ID C00005051
NAME 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
CAS_RN 93078-84-3
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c12)c(O3)c(C(C(=C3c(c4)cc(OC)c(O)c4)OC)=O)c(c1OCO2)O
M END
