Mol:FL5FEGNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.4388 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -3.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -3.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 -4.7585 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
16 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 2.241 1.127
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.9555 -0.7269
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.183 -1.0246
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.5983 0.4428
S SKP 8
ID FL5FEGNS0007
KNApSAcK_ID C00004827
NAME 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
CAS_RN 58840-32-7
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(c(OC)c(O)2)O)OC)=O
M END
