Mol:FL2FE9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
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 SBV 1 22 -6.2914 4.4296
S SKP 8
ID FL2FE9NS0002
KNApSAcK_ID C00008148
NAME Dihydrooroxylin A;5,7-Dihydroxy-6-methoxyflavanone
CAS_RN 18956-18-8
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cccc1
M END
