Mol:FLIAALNF0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7819 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7819 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4433 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4433 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9994 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9994 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4478 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7370 0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4478 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1054 1.9380 0.0000 O 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 2 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 16 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FLIAALNF0006
KNApSAcK_ID C00009918
NAME Lupinisoflavone J
CAS_RN 121747-95-3
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES Oc(c2)c(c(c(C(=C3)C(c(c(O)4)c(cc(c4CC=C(C)C)O)O3)=O)c2)1)CC(O1)C(C)(C)O
M END
