Mol:FL2FA8NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1940 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5200 0.1526 0.0000 C 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 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
12 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL2FA8NS0007
KNApSAcK_ID C00014118
NAME 5,2',3'-Trihydroxy-7-methoxyflavanone
CAS_RN 188440-66-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(O)c(O)cc2
M END
