Mol:FLID3ANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.1830 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -0.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3487 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 2.4813 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
6 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 -1.3487 1.5816
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 2.0248 -1.1691
S SKP 8
ID FLID3ANS0004
KNApSAcK_ID C00009620
NAME 4-Methoxymedicarpin;3-Hydroxy-4,9-dimethoxypterocarpan
CAS_RN 14756-82-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(OC)c(O)c2
M END
