Mol:FL2FFANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8426 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2800 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0615 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 1.9097 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
6 18 1 0 0 0 0
2 19 1 0 0 0 0
15 20 1 0 0 0 0
5 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 -1.0615 1.002
S SKP 8
ID FL2FFANS0004
KNApSAcK_ID C00008445
NAME 5,7,4'-Trihydroxy-8-methoxyflavanone
CAS_RN 94884-92-1
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)CC(c(c2)ccc(O)c2)1
M END
