Mol:FL3FGANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 -0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -0.8071 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.5983 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -1.0494 1.0455
S SKP 8
ID FL3FGANS0003
KNApSAcK_ID C00003876
NAME Desmethoxysudachitin;5,7,4'-Trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 4323-80-2
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)ccc(O)c2)c(OC)1
M END
