Mol:FL2FF8NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6577 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6577 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0950 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 1.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4127 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 1.6234 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
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
5 19 1 0 0 0 0
17 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.0149 0.7573
S SKP 8
ID FL2FF8NS0005
KNApSAcK_ID C00008446
NAME 5,8,2'-Trihydroxy-7-methoxyflavanone
CAS_RN 115713-22-9
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc2
M END
