Mol:FL3FA9CS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
2.7120 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4265 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1409 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1409 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4265 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9583 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2438 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5294 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5294 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2438 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9583 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1851 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8996 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8996 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1851 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5706 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1851 -1.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2438 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2680 -1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4548 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 -0.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8471 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4084 0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1409 -0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6931 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 -1.5161 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 15 1 0 0 0 0
S SKP 8
ID FL3FA9CS0005
KNApSAcK_ID C00014012
NAME Chrysin 6-C-beta-D-glucopyranoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 28368-57-2
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(=O)(C=3)c(c(OC3c(c4)cccc4)2)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O
M END
