Mol:FL3FFCGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
0.0415 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5664 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7564 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7564 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4114 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2161 0.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 0.2243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6931 -0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9506 -0.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2342 -0.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7548 0.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5133 0.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7853 -0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4969 -0.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5252 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 0.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9246 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2026 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8581 1.2087 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
1 19 1 0 0 0 0
20 15 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 19 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 -2.6066 0.5456
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 2.9246 1.4694
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 0.743 0.6492
S SKP 8
ID FL3FFCGS0017
KNApSAcK_ID C00004436
NAME 8-Hydroxyluteolin 8,3'-dimethyl ether 7-glucoside
CAS_RN 135043-85-5
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES c(c1O)(cc(C(=C4)Oc(c(C(=O)4)3)c(c(cc3O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)OC)cc1)OC
M END
