Mol:FL3FCCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4139 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4139 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4883 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4883 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3510 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6372 -0.9781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1215 -1.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3790 -1.3699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6626 -1.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1832 -0.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8328 -1.1843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3510 -1.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9253 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9536 -2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9898 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 1.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 1.9815 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
3 18 1 0 0 0 0
16 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
18 24 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
1 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 -2.0349 -0.29
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 -0.7711 1.1155
S SKP 8
ID FL3FCCGS0001
KNApSAcK_ID C00004333
NAME Luteolin 7-methyl ether 5-glucoside
CAS_RN 83133-14-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4O)O)=CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
