Mol:FL3FFCGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
0.3171 0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7682 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2192 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2192 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7682 0.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 0.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8420 -0.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5723 0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0320 0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4917 0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4917 1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0320 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5723 1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7682 -0.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1441 0.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9514 1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 0.7501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3987 0.0695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6562 0.3582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9398 0.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4604 0.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2189 0.6144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4909 0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2025 0.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2308 -0.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9514 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1619 -1.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6462 -1.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9037 -1.4774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1873 -1.4697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7079 -0.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 -1.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2714 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 -2.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0320 2.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7867 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8279 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8999 2.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6576 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6142 -0.1473 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 31 1 0 0 0 0
34 29 1 0 0 0 0
24 19 1 0 0 0 0
16 39 1 0 0 0 0
6 40 1 0 0 0 0
26 41 1 0 0 0 0
41 42 1 0 0 0 0
36 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 CH2OH
M SVB 2 47 -2.6576 -0.4386
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 CH2OH
M SVB 1 45 -2.5144 1.4218
S SKP 8
ID FL3FFCGS0018
KNApSAcK_ID C00004518
NAME Hypolaetin 7-sophoroside;8-Hydroxyluteolin 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 151363-22-3
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES O[C@@H]([C@@H](O)1)[C@H](O[C@@H]([C@H]2O)[C@H](Oc(c5)c(O)c(O3)c(c(O)5)C(=O)C=C3c(c4)ccc(O)c4O)OC([C@@H]2O)CO)OC([C@@H]1O)CO
M END
