Mol:FLIDHYNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 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 3 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
0.6557 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3702 0.8493 0.0000 C 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
9 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0823 -0.9157
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.6557 1.2618
S SKP 8
ID FLIDHYNS0003
KNApSAcK_ID C00010010
NAME Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan
CAS_RN 104700-87-0
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)C(C(OC)2)C1c(c3)c(cc(O)c3)O2
M END
