Mol:FL2FA9NM0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0135 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4714 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4334 1.5872 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.9334 0.7212
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.5686 -0.9159
S SKP 8
ID FL2FA9NM0011
KNApSAcK_ID C00008420
NAME 5,7-Dimethoxy-6-C-methylflavanone
CAS_RN 128508-16-7
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES O(C2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1OC)C)OC
M END
