Mol:FL5FEANS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 1.0418 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
2 20 1 0 0 0 0
3 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
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 SBV 1 24 -6.3693 4.0054
S SKP 8
ID FL5FEANS0007
KNApSAcK_ID C00004595
NAME 3,5,6,7-Tetrahydroxy-4'-methoxyflavone
CAS_RN 58942-16-8
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(O)2)1
M END
