Mol:FLIC1LNS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.4494 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 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
12 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
13 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 23
M SMT 2 OCH3
M SVB 2 23 0.7756 -1.0369
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.0247 -0.7282
S SKP 8
ID FLIC1LNS0010
KNApSAcK_ID C00009714
NAME Isomucronulatol;7,2'-Dihydroxy-3',4'-dimethoxyisoflavan
CAS_RN 64474-51-7
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c3)c(OC)c(O)c(c3)C(C1)Cc(c2)c(cc(O)c2)O1
M END
