Mol:FL3FFAGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.7093 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7093 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7196 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7196 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -0.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5775 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2920 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2920 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5775 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 -2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0383 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2789 2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7068 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0983 0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5642 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7400 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9609 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6078 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2593 0.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3562 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5207 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7842 1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3402 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1756 1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9121 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6415 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8174 2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0383 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6851 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3367 0.7796 0.0000 O 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 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 32 1 0 0 0 0
25 21 1 0 0 0 0
S SKP 8
ID FL3FFAGS0014
KNApSAcK_ID C00013642
NAME 8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 68116-43-8
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O(C(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)c(c1O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3)c(O)c1
M END
