Mol:057c FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-1.8045 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0901 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0901 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7675 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7675 -1.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -1.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2953 -1.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2953 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0585 -1.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 3.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -2.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5291 0.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 -3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0585 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 -0.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2335 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0585 2.3399 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2335 1.5149 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 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 11 2 0
1 2 2 0
7 17 2 0
1 18 1 0
14 19 1 0
6 20 1 0
20 21 1 0
21 22 1 0
13 23 1 0
9 24 1 0
24 25 1 0
25 16 1 0
23 26 1 0
19 27 1 0
9 28 1 1
8 29 1 1
18 30 1 0
21 30 1 0
30 31 1 0
31 32 1 0
30 33 1 0
S SKP 5
ID 057cFLIF
FORMULA C23H23ClO7
EXACTMASS 446.11323080000005
AVERAGEMASS 446.87721999999997
SMILES COc(c5)c(OC)cc(c54)C([H])(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(CCl)C(O)C3)2)1
M END
