Mol:FL4D1CNS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6721 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.6340 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 1 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
6 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
S SKP 8
ID FL4D1CNS0002
KNApSAcK_ID C00008561
NAME (2S,3S)-Fustin
CAS_RN 17654-28-3
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)cc(O1)c(c3)C(=O)C(O)C1c(c2)cc(O)c(O)c2
M END
</pre>
