Mol:FL2FAANM0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9563 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9589 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9589 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5479 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5479 1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -0.8185 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
S SKP 8
ID FL2FAANM0001
KNApSAcK_ID C00008237
NAME Poriol
CAS_RN 14348-16-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES Oc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(C)c(O)1
M END
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