Mol:FL5FEGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.7737 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7737 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0093 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3846 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4901 -0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0744 -0.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4758 -0.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8981 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3179 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 -0.1941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1520 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4669 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8737 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5204 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3001 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3154 1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0401 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9956 0.9717 0.0000 O 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
19 15 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
8 36 1 0 0 0 0
36 37 1 0 0 0 0
26 38 1 0 0 0 0
38 39 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 38 39
M SBL 5 1 41
M SMT 5 CH2OH
M SVB 5 41 -3.0401 0.6767
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 36 37
M SBL 4 1 39
M SMT 4 OCH3
M SVB 4 39 1.6504 -0.9854
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 OCH3
M SVB 3 37 2.858 1.7424
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -1.5204 -1.3787
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 3.3511 -0.022
S SKP 8
ID FL5FEGGS0001
KNApSAcK_ID C00005792
NAME 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
CAS_RN 67963-63-7
FORMULA C25H28O14
EXACTMASS 552.147905604
AVERAGEMASS 552.4814200000001
SMILES c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC
M END
