Mol:FL2FFANS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.8563 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 6 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
1 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 2 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
10 20 1 0 0 0 0
3 21 2 0 0 0 0
S SKP 8
ID FL2FFANS0001
KNApSAcK_ID C00008232
NAME Isocarthamidin
CAS_RN 2569-76-8
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1
M END
</pre>
