Mol:FL1DRTNS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5176 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
11 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -6.3140 3.7339
S SKP 8
ID FL1DRTNS0002
KNApSAcK_ID C00007924
NAME 2,4'-Dihydroxy-4-methoxydihydrochalcone
CAS_RN 98094-90-7
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c1)cc(O)c(CCC(=O)c(c2)ccc(O)c2)c1
M END
</pre>
