Mol:FL5FGCNS0008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2588 -3.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9314 -4.0187 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
2 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 -1.0494 0.7182
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.241 0.4428
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 0.5403 -1.0246
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 -2.5983 -0.7269
S SKP 8
ID FL5FGCNS0008
KNApSAcK_ID C00004793
NAME 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 81943-52-4
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)cc(O)c(O)c1
M END
</pre>
