Mol:FL5FAAGS0091
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
2.3161 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3161 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0306 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0306 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9708 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2080 0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3458 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 -0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8617 -2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7934 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3077 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 -0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6393 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1230 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1898 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2110 -2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6276 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 -2.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3861 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5491 -2.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8528 -2.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4149 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2105 -2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5160 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5160 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -0.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9646 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8811 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8811 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3458 -0.0946 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
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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 19 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 30 1 0 0 0 0
49 44 1 1 0 0 0
48 44 1 1 0 0 0
47 49 1 1 0 0 0
49 46 1 0 0 0 0
50 47 1 0 0 0 0
48 50 1 0 0 0 0
18 47 1 0 0 0 0
44 45 1 0 0 0 0
48 51 1 0 0 0 0
51 52 1 0 0 0 0
S SKP 5
ID FL5FAAGS0091
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c(c(O)6)5)OC(=C(C5=O)OC(O4)C(O)C(C(C4CO)OC(C3O)OC(C(C3O)O)CO)O)c(c2)ccc(O)c2)1)O)O
M END
