Mol:FL3FCDGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5170 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5170 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8362 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8362 0.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -1.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0184 -1.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2759 -1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5594 -1.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0801 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7297 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2478 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9347 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 -0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4277 2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3742 2.1393 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
25 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
1 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 32
M SMT 3 CH2OH
M SVB 3 32 -1.9347 -0.4314
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -0.8742 1.2733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.4277 2.2563
S SKP 8
ID FL3FCDGS0002
KNApSAcK_ID C00004370
NAME Luteolin 7,3'-dimethyl ether 5-glucoside
CAS_RN 83133-15-7
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
