Mol:FLIAALNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.1192 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1060 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1060 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1077 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4458 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7499 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 0.5150 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
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
3 20 1 0 0 0 0
7 21 2 0 0 0 0
14 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
16 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FLIAALNF0003
KNApSAcK_ID C00009838
NAME Lupinisoflavone B
CAS_RN 91681-64-0
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1
M END
