Mol:FLIDHYNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.2828 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0576 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0576 0.8251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6139 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4200 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6401 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1401 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 1.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2129 0.7337 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.4985 1.1462
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.6401 1.4439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.9256 -1.0314
S SKP 8
ID FLIDHYNS0001
KNApSAcK_ID C00010004
NAME 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan
CAS_RN 90686-11-6
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1
M END
