Mol:FL3FA9NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.5786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5340 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7697 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7697 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2469 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2469 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3367 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
19 26 2 0 0 0 0
3 27 1 0 0 0 0
S SKP 8
ID FL3FA9NS0004
KNApSAcK_ID C00003984
NAME 5,7-Dihydroxyflavone 7-benzoate
CAS_RN 106009-51-2
FORMULA C22H14O5
EXACTMASS 358.084123558
AVERAGEMASS 358.34356
SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1
M END
