Mol:FL5F9AGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.1678 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1678 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6115 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6115 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7474 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7474 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4458 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9412 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3289 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5834 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1134 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8904 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4534 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1678 -1.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3142 1.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0287 1.0769 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
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 28 1 0 0 0 0
28 29 1 0 0 0 0
15 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 28 29
M SBL 1 1 31
M SMT 1 CH2OH
M SBV 1 31 -5.0853 7.5556
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SBV 2 33 -5.0307 7.8562
S SKP 8
ID FL5F9AGL0001
KNApSAcK_ID C00005119
NAME 3-Hydroxy-4'-methoxyflavone 3-glucoside
CAS_RN 135557-21-0
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES O(C)c(c1)ccc(C(=C(OC(O4)C(O)C(C(C(CO)4)O)O)2)Oc(c3)c(ccc3)C2=O)c1
M END
