Mol:FL2FDENM0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0977 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0977 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9575 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1606 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 0.4445 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
15 18 1 0 0 0 0
6 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -7.4225 6.5208
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -8.2844 6.1146
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 ^OCH3
M SBV 3 26 -7.9108 6.6453
S SKP 8
ID FL2FDENM0001
KNApSAcK_ID C00008314
NAME 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
CAS_RN 86890-96-2
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)OC
M END
</pre>
