Mol:FL2FE8NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.8879 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4590 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4590 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1574 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1574 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1574 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 -0.9359 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
3 18 1 0 0 0 0
12 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
S SKP 8
ID FL2FE8NS0004
KNApSAcK_ID C00014115
NAME 5,2'-Dihydroxy-6,7-methylenedioxyflavanone
CAS_RN 188440-65-5
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)c(ccc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1
M END
