Mol:FL3FEAGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.3964 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1285 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9577 -0.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -0.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0632 -1.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3823 -1.1602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7254 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2028 -0.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7984 -0.9900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0783 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1906 -1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8003 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9922 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3869 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7771 1.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4761 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1906 1.4026 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 3 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
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
30 26 1 0 0 0 0
23 19 1 0 0 0 0
2 19 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
15 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 26 30
M SBL 3 1 27
M SMT 3 CH2OH
M SVB 3 27 -3.0443 -0.4604
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 3.4761 1.8151
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 -0.7771 1.3619
S SKP 8
ID FL3FEAGS0026
KNApSAcK_ID C00004242
NAME Scutellarein 7,4'-dimethyl ether 6-glucoside
CAS_RN 57498-69-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c1C(=C4)Oc(c(C(=O)4)2)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)cc(OC)cc1
M END
