Mol:FL3FCEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.7920 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2671 -1.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7326 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4578 0.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7153 0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0011 0.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5195 1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1691 1.1166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.6872 0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2899 0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2790 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3583 1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6286 2.6108 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
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 18 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
25 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 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 -1.3583 1.927
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 1.9728 0.5059
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.1493 -0.0072
S SKP 8
ID FL3FCEGS0001
KNApSAcK_ID C00004373
NAME Luteolin 7,4'-dimethyl ether 3'-glucoside
CAS_RN 110559-12-1
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)[C@@H]1O
M END
