Mol:FL3FEGNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.1040 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0925 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6772 -0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5432 -0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6772 1.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5432 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2697 -1.7079 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
16 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 30
M SMT 4 OCH3
M SVB 4 30 -1.9841 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 2.378 1.1317
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.0208 -0.0565
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.5277 1.7079
S SKP 8
ID FL3FEGNS0011
KNApSAcK_ID C00004007
NAME 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
CAS_RN 132185-74-1
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES O(C)c(c21)c(O4)c(OC4)cc1OC(c(c3)cc(OC)c(OC)c3OC)=CC2=O
M END
