Mol:FL2FAANI0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-5.0069 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3031 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5991 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5991 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3031 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0069 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8951 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1911 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1911 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8951 0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8937 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7658 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7658 1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3017 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7102 0.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6972 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4166 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1343 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8505 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1343 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5667 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2812 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9957 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7102 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9957 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5853 -0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 4 1 0
9 11 1 0
7 12 2 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
2 18 1 0
15 19 1 0
6 20 1 0
21 22 1 0
22 23 2 0
23 24 1 0
23 25 1 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
28 30 1 0
14 21 1 0
28 31 1 0
S SKP 5
ID FL2FAANI0027
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
