Mol:FL5FEANS0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8121 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
3 20 1 0 0 0 0
15 21 1 0 0 0 0
2 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 -7.2141 3.7696
S SKP 8
ID FL5FEANS0005
KNApSAcK_ID C00004593
NAME 6-Methoxykaempferol;3,5,7,4'-Tetrahydroxy-6-methoxyflavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 32520-55-1
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(O)c2)=C(O)1
M END
</pre>
