Mol:FLID1CNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0996 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4395 0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5774 -1.7095 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
12 17 1 0 0 0 0
1 18 1 0 0 0 0
15 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 2.0823 -0.9157
S SKP 8
ID FLID1CNS0007
KNApSAcK_ID C00010006
NAME (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan
CAS_RN 108335-33-7
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c4)c(O)cc(c43)C(C1)C(O3)c(c2)c(cc(O)c2)O1
M END
