Mol:FLICUNNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.4912 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7340 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7340 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6568 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2202 2.3435 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
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
7 20 1 0 0 0 0
3 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -0.6568 1.4439
S SKP 8
ID FLICUNNS0002
KNApSAcK_ID C00010039
NAME Lapathinol;5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol
CAS_RN 129724-39-6
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c21)c(O4)c(C(O)C(C4)c(c3)cccc3)c(O)c(OCO2)1
M END
