Mol:FL5FEANS0015
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 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
-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
-0.3946 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4246 0.2043 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
-1.8484 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2711 -4.8643 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
15 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.5403 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.5983 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.241 0.77
S SKP 8
ID FL5FEANS0015
KNApSAcK_ID C00004603
NAME Penduletin;5,4'-Dihydroxy-3,6,7-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 569-80-2
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)ccc(O)c2)OC)=O
M END
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