Mol:FL3F99NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8158 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -1.1708 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
16 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -3.9827 3.0500
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 ^OCH3
M SBV 2 22 -4.9806 2.5653
S SKP 8
ID FL3F99NS0007
KNApSAcK_ID C00003798
NAME 6,3'-Dimethoxyflavone
CAS_RN 71592-46-6
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)cc(cc3)C(=C1)Oc(c2)c(cc(OC)c2)C(=O)1
M END
