Mol:FL3FF9NS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.7189 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2962 1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9350 1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1963 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5991 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8846 -1.4198 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 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
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 SBV 1 24 -6.7712 2.8850
S SKP 8
ID FL3FF9NS0006
KNApSAcK_ID C00003996
NAME 5-Methoxy-7,8-methylenedioxyflavone
CAS_RN 70185-56-7
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES COc(c1)c(C(=O)4)c(OC(=C4)c(c3)cccc3)c(O2)c(OC2)1
M END
