Mol:FL1DE9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6722 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8732 -0.8931 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
4 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -5.4568 3.7428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -6.4481 3.2633
S SKP 8
ID FL1DE9NS0002
KNApSAcK_ID C00007954
NAME 2',6'-Dimethoxy-3',4'-methylenedioxydihydrochalcone
CAS_RN 70185-55-6
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CCc(c1)cccc1
M END
