Mol:FLIAEAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.9370 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9370 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4565 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4565 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 -0.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5365 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6853 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2120 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1942 -0.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9784 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7753 1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7853 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4797 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1942 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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 15 1 0 0 0 0
10 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
18 20 1 0 0 0 0
25 26 1 0 0 0 0
24 27 1 0 0 0 0
23 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
9 33 1 0 0 0 0
33 34 1 0 0 0 0
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 SBV 1 32 -5.7157 4.1692
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SBV 2 34 -5.6745 3.3627
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 ^OCH3
M SBV 3 36 -6.2170 3.2616
S SKP 8
ID FLIAEAGS0005
KNApSAcK_ID C00010126
NAME 7-O-Methyltectorigenin 4'-O-glucoside
CAS_RN 19316-92-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c3OC(C(O)4)OC(CO)C(O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O
M END
