Mol:FL4DF9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8423 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4097 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3066 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0192 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0951 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3790 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6215 -1.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 1.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 1 0 0 0
19 21 1 0 0 0 0
2 22 1 0 0 0 0
S SKP 8
ID FL4DF9NS0001
KNApSAcK_ID C00014364
NAME (2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone
CAS_RN 578730-88-8
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)C(c(c2)cccc2)1
M END
