Mol:FL2FGANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4434 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6020 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6020 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1045 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7511 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2315 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4003 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0795 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7511 1.6646 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
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 6 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
21 27 1 0 0 0 0
S SKP 8
ID FL2FGANS0004
KNApSAcK_ID C00014136
NAME (2S)-5,6,7,8,4'-Pentamethoxyflavanone
CAS_RN 377090-32-9
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC
M END
