Mol:FL5FACGS0089
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 68 0 0 0 0 0 0 0 0999 V2000
3.2261 4.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9405 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6550 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6550 4.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9405 5.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5117 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 4.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5117 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0606 4.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 2.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3683 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2469 5.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2836 3.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7502 1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9250 1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7069 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 3.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9390 3.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1571 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7003 2.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3630 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7315 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1619 1.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9277 2.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5439 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6853 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0183 0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1968 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0552 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7223 0.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9849 -0.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1863 -0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2836 -0.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1844 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8193 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9607 -2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2938 -1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4722 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3306 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9977 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1222 -2.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5030 -2.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4972 -2.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3375 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8524 -4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0272 -4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 -3.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 -3.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 -3.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2594 -4.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8449 -3.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 -5.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0161 -5.3530 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
26 18 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 40 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
56 60 1 0 0 0 0
55 61 1 0 0 0 0
54 62 1 0 0 0 0
57 50 1 0 0 0 0
38 30 1 0 0 0 0
S SKP 5
ID FL5FACGS0089
FORMULA C38H48O24
EXACTMASS 888.253552464
AVERAGEMASS 888.77332
SMILES OC(C6O)C(OC(C7O)OCC(O)C(O)7)C(OC6C)OC(C1OCC(C(O)5)OC(C(O)C5O)Oc(c4)cc(c2c4O)OC(c(c3)ccc(O)c3O)=C(O)C2=O)C(O)C(O)C(C)O1
M END
