Mol:FL5F3CNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.5691 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
15 19 1 0 0 0 0
6 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
16 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 1.6687 1.6718
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 0.4611 -1.056
S SKP 8
ID FL5F3CNS0005
KNApSAcK_ID C00004664
NAME 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone;7,8-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 149981-96-4
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c(O)3)cc(cc3)C(O1)=C(OC)C(=O)c(c2)c(c(O)c(O)c2)1
M END
