Mol:FLIDBANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 0.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1700 0.3271 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
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -5.5511 3.4563
S SKP 8
ID FLIDBANI0001
KNApSAcK_ID C00009654
NAME 1-Methoxyphaseollidin;3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan
CAS_RN 65428-13-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c21)cc(O)cc1OCC(c34)C2Oc3c(CC=C(C)C)c(cc4)O
M END
