Mol:FL3FACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 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
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL3FACNI0003
KNApSAcK_ID C00013419
NAME Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 129145-53-5
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(c(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)C=C(C)C
M END
