Mol:FL3FAIGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
59 64 0 0 0 0 0 0 0 0999 V2000
3.2302 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 -0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 -0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1911 3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 3.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2723 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6278 4.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2723 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8985 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4859 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6878 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8946 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3070 2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1051 2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5992 2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3090 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1522 3.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1601 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7445 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9964 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4633 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6837 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4320 1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9651 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6333 0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2723 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1411 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6026 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4264 0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0917 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1685 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1685 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6333 1.3688 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
31 35 2 0 0 0 0
31 36 1 0 0 0 0
28 18 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 34 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 52 1 0 0 0 0
55 58 1 0 0 0 0
43 59 1 0 0 0 0
S SKP 5
ID FL3FAIGS0013
FORMULA C38H36O21
EXACTMASS 828.174908214
AVERAGEMASS 828.67984
SMILES C(C6C(O)=O)(O)C(C(C(O6)Oc(c3)cc(O)c(C(=O)5)c3OC(=C5)c(c4)cc(c(O)c4OC)OC)OC(C(OC(=O)C=Cc(c2)ccc(c2)O)1)OC(C(O)=O)C(O)C(O)1)O
M END
