Mol:FL5FFLNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.1416 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3405 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5057 -0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9496 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8156 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3073 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 1.9452 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
15 20 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -1.3073 1.0455
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.2825 -0.6973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.9832 0.2661
S SKP 8
ID FL5FFLNS0005
KNApSAcK_ID C00004839
NAME 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
CAS_RN 100363-97-1
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES c(c1OC)(O)cc(c(C3=O)c(OC(=C3OC)c(c(O)2)cc(OC)c(O)c2)1)O
M END
