Mol:FL1D1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.3671 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3671 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8131 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8131 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3985 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9486 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0254 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0254 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9486 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9208 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5636 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8131 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8915 -0.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7575 -1.0014 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
13 18 1 0 0 0 0
3 19 1 0 0 0 0
12 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 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.2064 -0.2078
S SKP 8
ID FL1D1CNS0001
KNApSAcK_ID C00007934
NAME 4,2',4'-Trihydroxy-3-methoxydihydrochalcone
CAS_RN 72463-72-0
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c1)c(O)ccc(CCC(=O)c(c2)c(O)cc(O)c2)1
M END
