Mol:FL3FADGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.0502 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8545 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8545 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 -1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3054 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2248 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2248 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3054 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2248 0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3999 0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1012 -0.1815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5856 -0.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8431 -0.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1266 -0.5656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6473 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 -0.3877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8150 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3894 -0.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9949 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3833 2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5009 0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4556 0.8162 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
19 15 1 0 0 0 0
1 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
24 20 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
26 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 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.5009 0.5187
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 2.9949 1.4514
S SKP 8
ID FL3FADGS0004
KNApSAcK_ID C00004338
NAME Luteolin 3'-methyl ether 7-glucoside
CAS_RN 19993-32-9
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c3)O)OC)=CC2=O)CO)O)O
M END
