Mol:FL5FAAGS0100
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 68 0 0 0 0 0 0 0 0999 V2000
2.3659 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3659 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7948 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7948 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6514 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6514 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2065 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2065 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 -0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9802 2.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3955 3.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 -0.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4713 1.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8838 0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0906 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2925 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 1.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 1.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2766 0.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5241 0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3955 0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1850 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3903 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -1.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1568 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 -0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0384 -1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4338 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4529 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3181 -1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5167 -2.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2545 -0.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7362 -2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9227 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3474 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0733 -2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8868 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4620 -1.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6282 -2.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 -3.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4820 -3.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6777 -2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8913 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1838 -2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3587 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1451 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -2.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1642 -3.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4755 -3.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -2.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3226 -2.5557 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 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 19 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
53 54 1 0 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
56 59 1 0 0 0 0
55 60 1 0 0 0 0
54 61 1 0 0 0 0
53 62 1 0 0 0 0
47 42 1 0 0 0 0
57 39 1 0 0 0 0
S SKP 5
ID FL5FAAGS0100
FORMULA C39H50O23
EXACTMASS 886.274287906
AVERAGEMASS 886.8005
SMILES c(c1)c(ccc(C(=C(OC(C(OC(C(O)7)OC(C)C(O)C7O)6)OC(C(O)C6O)COC(C5O)OC(C(C5O)O)C)4)Oc(c3C4=O)cc(cc3O)OC(O2)C(C(O)C(O)C2C)O)1)O
M END
