Mol:FL1DABNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5184 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
3 18 1 0 0 0 0
5 19 1 0 0 0 0
13 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 SBV 1 21 -6.3140 3.7347
S SKP 8
ID FL1DABNS0001
KNApSAcK_ID C00007937
NAME 2',4',6'-Trihydroxy-4-methoxydihydrochalcone
CAS_RN 76172-68-4
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(O)c1
M END
