Mol:FL3FEGNS0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2602 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8164 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8165 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2601 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1476 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1476 -1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6939 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 -3.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 -1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4085 -4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1831 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 -2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9029 -0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 -4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 -5.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9749 -0.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -1.0952 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
16 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -2.7769 -0.6877
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 2.0624 -0.022
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 -2.4197 0.482
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 1.5693 1.7424
S SKP 8
ID FL3FEGNS0006
KNApSAcK_ID C00003946
NAME 5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 83133-17-9
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c1O)(OC)cc(C(O2)=CC(c(c3O)c2cc(c3OC)OC)=O)cc1OC
M END
</pre>
