Mol:FL7AAAGL0069
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
72 79 0 0 0 0 0 0 0 0999 V2000
0.0164 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0164 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 3.9251 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.6507 3.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 3.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 3.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 5.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7198 5.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6860 3.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 2.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2898 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6965 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 2.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7400 2.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3848 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3817 0.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8726 0.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4280 2.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3389 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1449 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1871 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6434 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8373 1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7951 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9100 1.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3441 -1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8875 -0.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1537 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0769 -1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 -1.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5147 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9213 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1298 -1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6485 -1.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3864 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1980 -2.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5753 -2.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9243 1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6379 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3514 1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6668 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3813 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3813 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6668 -1.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9524 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9524 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6668 -2.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3338 -4.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -4.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2906 -3.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6974 -3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5227 -3.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7408 -3.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3650 -4.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7198 -4.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4444 -5.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9147 -5.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4082 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
18 24 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
33 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
43 48 1 0 0 0 0
42 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
41 46 1 0 0 0 0
34 20 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
52 27 1 0 0 0 0
55 53 1 0 0 0 0
62 63 1 1 0 0 0
63 64 1 1 0 0 0
65 64 1 1 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 62 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
62 70 1 0 0 0 0
63 71 1 0 0 0 0
64 72 1 0 0 0 0
61 65 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0069
FORMULA C46H55O26
EXACTMASS 1023.298156932
AVERAGEMASS 1023.9132999999999
SMILES C(O)(C(C)8)C(O)C(C(O8)OCC(C7O)OC(C(C7O)O)Oc(c5c(c6)ccc(O)c6)cc(c4[o+1]5)c(cc(c4)OC(O1)C(C(O)C(C1COC(c(c3)ccc(c3)OC(O2)C(C(O)C(C2CO)O)O)=O)O)O)O)O
M END
