Mol:FL4DE9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.3735 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 -0.6488 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
8 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
S SKP 8
ID FL4DE9NS0002
KNApSAcK_ID C00008598
NAME 3,5-Dihydroxy-6,7-methylenedioxyflavanone
CAS_RN 110204-44-9
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES c(c4)ccc(c4)C(O1)C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1
M END
