Mol:065a FLIC
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2139 1.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2139 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7850 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7850 1.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0707 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 1.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0707 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1219 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8858 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8858 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1219 0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6428 -0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9284 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6428 1.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1219 1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -1.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 -2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 6
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
1 2 2 0
17 14 1 0
1 18 1 0
18 19 1 0
16 20 1 0
12 21 1 0
21 22 1 0
22 23 2 0
21 24 1 0
21 25 1 0
S SKP 5
ID 065a FLIC
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c(O)1)c(cc(O)c1)C(C)(C)C=C
M END
