Mol:071c FLIC
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.4946 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7802 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7802 0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3512 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3512 0.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0774 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0774 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6052 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6052 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2091 0.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7802 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2091 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6217 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0341 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3197 -2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5557 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2702 -0.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0341 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 1
11 12 2 0
12 13 1 0
14 15 1 0
15 16 2 0
16 11 1 0
1 2 1 0
1 17 1 0
6 18 1 0
18 19 2 0
17 20 1 0
19 20 1 0
20 21 1 0
20 22 1 0
13 14 2 0
14 23 1 0
16 24 1 0
24 25 1 0
26 15 1 0
23 27 1 0
S SKP 5
ID 071c FLIC
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES COc(c4)c(O)c(OC)c(c4)C(C3)Cc(c2)c(O3)c(C=1)c(c2)OC(C)(C)C1
M END
