Mol:FL5FGLNS0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.3370 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2484 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -4.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -4.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2530 -4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1226 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3735 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5609 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 -5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0030 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8235 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2056 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6283 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0986 -5.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5213 -6.4639 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
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
8 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 30 31
M SBL 6 1 32
M SMT 6 OCH3
M SVB 6 32 1.8838 0.2661
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 0.183 -0.6973
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 -2.5983 0.77
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 -2.9555 -0.3996
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 2.241 1.4543
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 -1.4067 1.0455
S SKP 8
ID FL5FGLNS0011
KNApSAcK_ID C00004855
NAME 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 100363-96-0
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(cc(OC)c(OC)2)O)OC)=O)O)OC)OC
M END
</pre>
