Mol:FLID1CNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.3574 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3574 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 1.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1321 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1321 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 -0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0187 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 -0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0187 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2077 -1.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2077 0.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9222 -0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
12 17 1 0 0 0 0
15 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 SBV 1 23 -5.7397 4.6212
S SKP 8
ID FLID1CNS0006
KNApSAcK_ID C00009994
NAME Kushenin;3,9-Dihydroxy-8-methoxypterocarpan
CAS_RN 99217-66-0
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)4)cc(c(c4)3)C(C1)C(O3)c(c2)c(cc(O)c2)O1
M END
