Mol:FL3FABGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-0.1053 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1053 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3236 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3236 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1815 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8960 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8960 1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1815 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 -1.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 -1.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6423 1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8249 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2836 1.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2630 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5484 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9616 -0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 -0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8756 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4625 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3286 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9267 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7588 -0.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1159 -1.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1017 -0.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8056 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8056 -1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6216 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7894 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2537 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1709 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6216 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2117 -0.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2836 -0.2645 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
19 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 20 1 0 0 0 0
39 33 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 1 0 0 0
33 34 1 0 0 0 0
39 35 1 0 0 0 0
40 37 1 0 0 0 0
36 41 1 0 0 0 0
38 40 1 0 0 0 0
33 36 1 0 0 0 0
29 37 1 0 0 0 0
S SKP 5
ID FL3FABGS0018
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c5OC)cc(cc5)C(=C4)Oc(c1)c(C4=O)c(O)cc1OC(C(O)2)OC(COC(C3O)OCC3(CO)O)C(O)C2O
M END
