Mol:FL2FALNI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.2780 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0988 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3074 -0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3814 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4223 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9115 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9281 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9281 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7925 1.4711 0.0000 O 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 6 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
19 6 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
13 30 1 0 0 0 0
15 31 1 0 0 0 0
17 32 1 0 0 0 0
S SKP 8
ID FL2FALNI0021
KNApSAcK_ID C00008531
NAME Exiguaflavanone C
CAS_RN 149725-16-6
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES CC(=C)C(CC=C(C)C)Cc(c3O)c(O)c(c(c3)2)C(CC(O2)c(c1O)c(cc(c1)O)O)=O
M END
