Mol:FL5FFCNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9943 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6920 1.6178 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
16 20 1 0 0 0 0
15 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.1286 0.7182
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.4611 -1.0246
S SKP 8
ID FL5FFCNS0007
KNApSAcK_ID C00004727
NAME Gossypetin 3,8-dimethyl ether;5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 4988-22-1
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(OC)=C1c(c2)cc(O)c(O)c2
M END
