Mol:FLIAAACS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9830 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9830 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1813 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0597 0.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1654 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3787 -2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3787 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2152 1.3535 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
8 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
3 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.9475 5.7873
S SKP 8
ID FLIAAACS0002
KNApSAcK_ID C00006118
NAME Genistein 8-C-glucoside
CAS_RN 66026-80-0
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O
M END
