Mol:FL3FEAGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8707 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
11 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
14 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
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
20 24 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -3.3531 1.4042
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 4.1563 1.5012
S SKP 8
ID FL3FEAGS0043
KNApSAcK_ID C00010278
NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin
CAS_RN 35536-70-0
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
