Mol:FL3FGANS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4232 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4232 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8521 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8521 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7087 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0058 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0058 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7087 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7202 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7202 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7087 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5666 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5666 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8364 1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5666 1.4504 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 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
4 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
3 21 1 0 0 0 0
14 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL3FGANS0013
KNApSAcK_ID C00013314
NAME 5,6,7-Trihydroxy-8,4'-dimethoxyflavone;5,6,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 142846-83-1
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)ccc(c3)C(=C2)Oc(c(OC)1)c(C(=O)2)c(O)c(O)c(O)1
M END
