Mol:FL3FEAGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.9617 -3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5626 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0732 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3818 -2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 -3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1981 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2913 -2.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8988 -3.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2885 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7873 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8795 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4729 -0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1181 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1880 -3.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2795 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0249 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7749 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1626 1.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4171 1.0103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1402 1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7241 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7220 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -3.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6500 -3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0016 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1388 -4.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 -4.9276 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 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 15 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
31 32 1 0 0 0 0
2 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 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 3.2871 0.5786
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 -4.0016 -0.7226
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 -3.6443 0.2644
S SKP 8
ID FL3FEAGS0018
KNApSAcK_ID C00004234
NAME Scutellarein 6,7-dimethyl ether 4'-glucoside
CAS_RN 13020-19-4
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)c1
M END
