Mol:FL5FAAGS0122
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
2.3204 3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 3.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6059 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 2.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1770 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1770 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6059 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2519 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2519 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9664 2.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3501 3.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4878 1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9003 0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1070 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3090 1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6897 1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3136 0.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5818 0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3501 1.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2221 1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 -2.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8907 -3.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6602 -2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -2.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 -2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9897 -2.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8286 -3.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0037 -3.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0591 -2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2496 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8284 -0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 0.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -0.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0991 -0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 -1.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7094 -1.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 -0.9690 0.0000 C 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
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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
26 18 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
44 51 1 0 0 0 0
43 52 1 0 0 0 0
47 19 1 0 0 0 0
32 50 1 0 0 0 0
S SKP 5
ID FL5FAAGS0122
FORMULA C36H36O16
EXACTMASS 724.200335104
AVERAGEMASS 724.66144
SMILES Oc(c6)ccc(c6)C(O1)=C(OC(C(O)4)OC(C(C4OC(C=Cc(c5)ccc(c5)O)=O)O)C)C(c(c2O)c(cc(OC(O3)C(O)C(C(C3C)O)O)c2)1)=O
M END
