Mol:FL1CHYNS0008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4710 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1354 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4710 0.9304 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
10 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
S SKP 8
ID FL1CHYNS0008
KNApSAcK_ID C00014437
NAME Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one
CAS_RN 204397-06-8
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES OC(=CC(=O)c(c3)cc(O4)c(OC4)c3)c(c1)cc(O2)c(OC2)c1
M END
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