Mol:FL5FAGGS0016
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
85 93 0 0 0 0 0 0 0 0999 V2000
-4.5056 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5056 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 -0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9884 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9884 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2298 -0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2298 1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2280 -1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7222 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0510 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0510 2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7222 2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4117 1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 -1.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5971 2.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0510 3.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5971 0.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3013 3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8491 2.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6380 2.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3992 2.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8461 3.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 2.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1231 2.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2975 2.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0941 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 4.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8028 3.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 4.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4117 3.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0133 4.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2378 4.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8659 4.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0124 4.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0097 5.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8005 5.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4558 -1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 -2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0121 -1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1909 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 -1.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 -2.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1584 -2.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0568 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0270 -2.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1752 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6479 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -2.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2063 -2.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9176 -2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3893 -2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4790 -1.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2715 -2.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 -2.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5855 -1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 -0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9976 0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 -0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0312 -1.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9044 -0.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0811 0.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2634 -3.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 -3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2397 -4.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1103 -3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7430 -4.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0979 -4.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7403 -3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 -3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3326 -4.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 -5.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -5.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0471 -4.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7695 0.1322 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
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
4 3 1 0 0 0 0
1 18 1 0 0 0 0
19 3 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
14 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
25 30 1 0 0 0 0
26 31 1 0 0 0 0
27 32 1 0 0 0 0
20 24 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
37 41 1 0 0 0 0
38 42 1 0 0 0 0
32 36 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 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
45 49 1 0 0 0 0
44 50 1 0 0 0 0
43 51 1 0 0 0 0
46 52 1 0 0 0 0
47 21 1 0 0 0 0
53 54 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 53 1 0 0 0 0
53 59 1 0 0 0 0
58 60 1 0 0 0 0
57 61 1 0 0 0 0
56 62 1 0 0 0 0
54 52 1 0 0 0 0
63 64 1 1 0 0 0
64 65 1 1 0 0 0
66 65 1 1 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 63 1 0 0 0 0
64 69 1 0 0 0 0
65 70 1 0 0 0 0
63 59 1 0 0 0 0
66 71 1 0 0 0 0
62 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 2 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
82 77 1 0 0 0 0
80 83 1 0 0 0 0
84 85 1 0 0 0 0
67 84 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 84 85
M SBL 1 1 93
M SMT 1 CH2OH
M SBV 1 93 -0.4904 -0.4613
S SKP 5
ID FL5FAGGS0016
FORMULA C53H64O32
EXACTMASS 1212.3380699519998
AVERAGEMASS 1213.05606
SMILES OC(C(O)8)C(OCC(OC(C9O)OC(C(C9O)O)C)8)Oc(c7O)c(cc(c7)C(=C(OC(C(OC(C4OC(O6)C(C(O)C(C6CO)O)O)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(C4O)O)3)OC(C)C(C3O)O)2)Oc(c1C(=O)2)cc(cc(O)1)O)O
M END
</pre>
