Mol:FL2FA9NS0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
9 20 1 1 0 0 0
S SKP 8
ID FL2FA9NS0006
KNApSAcK_ID C00008407
NAME 2beta-5,7-Trihydroxyflavanone
CAS_RN 106009-52-3
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)CC(O)1c(c2)cccc2
M END
</pre>
