Mol:FL3FFCNS0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1487 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 0.8390 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
19 20 1 0 0 0 0
6 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
15 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 2.0624 1.1662
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.7769 0.482
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.5853 0.7574
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.212 1.7424
S SKP 8
ID FL3FFCNS0006
KNApSAcK_ID C00003911
NAME Hypolaetin 7,8,3',4'-tetramethyl ether;5-Hydroxy-7,8,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 13003-74-2
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES O(C(c(c3)cc(OC)c(OC)c3)=1)c(c2OC)c(c(O)cc2OC)C(=O)C1
M END
</pre>
