Mol:FL3FECGS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
2.3274 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3274 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7563 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7563 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1840 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1840 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9594 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4619 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4208 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4759 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0952 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3224 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4619 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3339 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8980 -0.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
15 32 1 0 0 0 0
26 32 1 0 0 0 0
S SKP 5
ID FL3FECGS0042
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(O)C(O)C(C)4)OC1c(c2)cc(c(O)c2)O
M END
