Mol:FLIAAANF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.1983 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
7 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
3 26 1 0 0 0 0
S SKP 8
ID FLIAAANF0002
KNApSAcK_ID C00009832
NAME Lupinisoflavone C
CAS_RN 93373-47-8
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O
M END
