Mol:FL7AAAGL0049
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
-2.6474 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1649 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1649 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4236 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3177 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3177 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4236 0.4500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0586 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8141 0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5696 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5696 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8141 1.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0586 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3883 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1405 1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 -2.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8534 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3353 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 -2.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0216 -3.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6272 -4.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5396 -3.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 -1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0295 -3.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2789 -4.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7142 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0201 -1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7640 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2235 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5491 -1.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6298 -2.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5169 -2.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2963 -1.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2528 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7583 -2.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 -2.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3588 -2.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 -1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4813 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9584 -2.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4363 -2.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5297 -2.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2441 0.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9753 0.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1799 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1777 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4934 2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4929 3.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1769 4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8613 3.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8617 2.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1802 4.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8354 4.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8360 -1.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0167 4.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2922 3.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0517 3.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 3.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 4.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 4.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 4.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 3.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5065 3.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 -4.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8178 -5.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2715 4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5707 5.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9790 -1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9753 -1.1629 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
27 30 1 0 0 0 0
22 20 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 19 1 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 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 53 1 0 0 0 0
56 59 1 0 0 0 0
55 60 1 0 0 0 0
34 61 1 0 0 0 0
61 48 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
62 68 1 0 0 0 0
63 69 1 0 0 0 0
64 70 1 0 0 0 0
65 60 1 0 0 0 0
71 72 1 0 0 0 0
24 71 1 0 0 0 0
73 74 1 0 0 0 0
67 73 1 0 0 0 0
75 76 1 0 0 0 0
44 75 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 71 72
M SBL 1 1 79
M SMT 1 ^ CH2OH
M SBV 1 79 0.0333 0.7016
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 73 74
M SBL 2 1 81
M SMT 2 ^ CH2OH
M SBV 2 81 0.4058 -0.6957
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 75 76
M SBL 3 1 83
M SMT 3 ^ CH2OH
M SBV 3 83 0.4977 -0.5767
S SKP 5
ID FL7AAAGL0049
FORMULA C48H57O28
EXACTMASS 1081.30363624
AVERAGEMASS 1081.94938
SMILES OC(C8O)C(OC(C(O)8)OC(C3O)C(Oc(c7)c([o+1]c(c75)cc(O)cc5OC(C(O)6)OC(C(O)C6O)CO)c(c4)ccc(c4)O)OC(C3O)CO)COC(=O)C=Cc(c1)ccc(c1OC(O2)C(C(C(O)C2CO)O)O)O
M END
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