Mol:FL5FGGNS0013
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.4388 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 -1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 -0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2299 -4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0960 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -5.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -3.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -4.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -0.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0045 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0023 -2.8035 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 7 SUP
M SLB 1 7 7
M SAL 7 2 31 32
M SBL 7 1 33
M SMT 7 OCH3
M SVB 7 33 1.3907 1.7424
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 29 30
M SBL 6 1 31
M SMT 6 OCH3
M SVB 6 31 -2.9555 -0.6877
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 -2.5983 0.482
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 0.183 -0.9854
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 1.8838 -0.022
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 2.241 1.1662
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 -1.4067 0.7574
S SKP 8
ID FL5FGGNS0013
KNApSAcK_ID C00004870
NAME 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
CAS_RN 95165-17-6
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES O(c(c3OC)c(cc(c3)C(=C(OC)1)Oc(c2OC)c(c(O)c(c(OC)2)OC)C1=O)OC)C
M END
</pre>
