Mol:FLID3ANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.1830 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -0.3107 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.0105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
6 19 1 0 0 0 0
14 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 23
M SMT 1 OCH3
M SVB 1 23 2.0248 -1.2036
S SKP 8
ID FLID3ANS0003
KNApSAcK_ID C00009615
NAME 4-Hydroxymedicarpin
CAS_RN 53950-54-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2
M END
