Mol:FL5FDCNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3088 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
3 18 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
1 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 -2.4197 0.4428
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 0.3617 -1.0246
S SKP 8
ID FL5FDCNS0003
KNApSAcK_ID C00004638
NAME Quercetin 3,7-dimethyl ether;5,3',4'-Trihydroxy-3,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 2068-02-2
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OC)=C1c(c2)cc(O)c(O)c2
M END
