Mol:FL3FA9GS0008
From Metabolomics.JP
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Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2759 0.3783 0.0000 C 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
1 18 1 0 0 0 0
3 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
22 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
20 30 1 0 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
23 18 1 0 0 0 0
S SKP 8
ID FL3FA9GS0008
KNApSAcK_ID C00013598
NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 674299-89-9
FORMULA C23H22O10
EXACTMASS 458.121296924
AVERAGEMASS 458.41478000000006
SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1
M END
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