Mol:FLID1ANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.1830 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.9001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1943 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3779 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7879 0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 0.2135 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
1 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.0248 0.0072
S SKP 8
ID FLID1ANI0003
KNApSAcK_ID C00009644
NAME Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan
CAS_RN 74515-46-1
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(C24)(c(OC2c(c3OC4)ccc(O)c3)1)ccc(c1CC=C(C)C)OC
M END
