Mol:056 FLIF
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(Redirected from Mol:056 FLID)
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-2.6739 1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6739 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8059 -1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8059 0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2842 -1.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8059 -2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2842 1.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9486 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1282 2.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4213 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4213 1.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2078 -0.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5656 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9317 1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3896 1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2842 -2.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5204 -2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
5 6 2 0
8 9 1 0
10 11 1 0
1 2 2 0
10 9 2 0
9 12 1 0
7 13 1 0
13 8 2 0
8 14 1 0
15 16 1 0
16 17 2 0
6 17 1 0
1 15 1 0
6 1 1 0
18 19 1 0
19 20 1 0
5 20 1 0
4 18 1 0
5 4 1 0
18 21 2 0
24 25 1 0
22 25 1 0
11 24 1 0
7 23 1 0
7 11 2 0
19 22 1 0
19 23 1 0
12 26 1 0
14 27 1 0
S SKP 5
ID 056 FLID
FORMULA C20H16O7
EXACTMASS 368.089602866
AVERAGEMASS 368.33684000000005
SMILES COc(c5)c(OC)cc(c45)OC(CCO4)(O1)C(=O)c(c2)c(c(c3)c(oc3)c2)1
M END
