Mol:FL2F2CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.6821 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6403 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6403 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.2045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1195 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3966 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 1.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5393 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3966 -0.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3736 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 16 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
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 -2.3966 -0.6501
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 -2.0393 0.4142
S SKP 8
ID FL2F2CNS0002
KNApSAcK_ID C00008398
NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavanone
CAS_RN 94392-48-0
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=O
M END
