Mol:FL2FCFNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2456 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2456 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.1273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6829 0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3583 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3583 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6750 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6028 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1028 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0992 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4270 0.7901 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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.9605 1.0981
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.0992 1.6304
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.6028 0.4914
S SKP 8
ID FL2FCFNM0001
KNApSAcK_ID C00008488
NAME 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
CAS_RN 151649-33-1
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC
M END
