Mol:FL5F1CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.6439 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
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 SBV 1 23 -6.3693 3.6075
S SKP 8
ID FL5F1CNS0004
KNApSAcK_ID C00004582
NAME Fisetin 4'-methyl ether
CAS_RN 57396-72-2
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1
M END
