Mol:FL2FA9NI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7046 1.6360 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.2045 0.77
S SKP 8
ID FL2FA9NI0004
KNApSAcK_ID C00008172
NAME 5-Hydroxy-7-methoxy-6-C-prenylflavanone
CAS_RN 55051-79-1
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O
M END
