Mol:FL3FAEGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.0642 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0642 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8380 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8380 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4607 -0.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1104 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1104 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 -0.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3781 0.6264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8625 -0.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1200 0.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4035 0.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9242 0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6826 0.4906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9546 0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5744 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4326 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1708 -3.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1149 -2.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2621 -2.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0061 -1.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5515 -0.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2850 -0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5639 -1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.6640 -2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1856 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7007 1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4151 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2917 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3636 1.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3546 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2759 -1.7186 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
16 18 1 0 0 0 0
1 19 1 0 0 0 0
3 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
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 31 1 0 0 0 0
34 29 1 0 0 0 0
24 19 1 0 0 0 0
15 39 1 0 0 0 0
39 40 1 0 0 0 0
26 41 1 0 0 0 0
41 42 1 0 0 0 0
36 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 47
M SMT 3 CH2OH
M SVB 3 47 -3.1279 -0.4788
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 CH2OH
M SVB 2 45 -2.9782 1.298
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 OCH3
M SVB 1 43 3.7007 1.8599
S SKP 8
ID FL3FAEGS0007
KNApSAcK_ID C00004363
NAME Luteolin 4'-methyl ether 7-sophoroside
CAS_RN 75243-37-7
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES [C@@H]([C@H]5O)([C@@H](OC([C@@H]5O)CO)O[C@@H]([C@H]4O)[C@@H](OC([C@@H]4O)CO)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3O)OC)c1O)O
M END
