Mol:FL7AAAGL0068
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
0.4495 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 2.6515 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
4.0838 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5128 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5128 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0838 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1530 3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1305 2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9575 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4182 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6210 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4829 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2801 2.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4307 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 0.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0029 0.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2737 1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6630 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1192 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3132 0.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2710 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4257 -0.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5283 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7725 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3898 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 -2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 -3.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4842 -2.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6207 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -3.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 -3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7275 -3.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 2.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8735 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6791 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9166 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3291 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9166 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1530 2.7828 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
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0068
FORMULA C40H45O21
EXACTMASS 861.245333502
AVERAGEMASS 861.7727
SMILES c(c1)(OC(C7O)OC(C(O)C7O)COC(c(c6)ccc(c6)O)=O)cc([o+1]4)c(cc(c(c(c5)ccc(O)c5)4)OC(C2O)OC(COC(C3O)OC(C)C(O)C(O)3)C(O)C2O)c(O)1
M END
