Mol:FL7AACGL0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
-3.1636 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1636 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7347 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7347 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0203 -1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3058 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3058 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0203 -0.2337 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4084 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1365 -0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1365 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4084 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8778 -0.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5926 1.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -2.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5054 -1.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3102 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8261 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5689 -1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2858 -1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1149 -1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -2.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1817 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7985 -1.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1365 1.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9536 -2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4769 -3.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7904 -3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1281 -3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 -2.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2100 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4469 -2.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0904 -3.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1483 -3.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3929 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4837 -0.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1717 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9429 -0.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1717 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7264 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7264 1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4469 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4469 2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7264 3.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0059 2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0059 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7277 3.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0230 -4.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -4.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 -3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0623 -2.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -3.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3145 -4.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1021 -5.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -5.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4165 -3.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1742 4.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6508 3.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3372 3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9997 3.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5183 4.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 3.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5815 3.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9340 3.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8777 3.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3402 -4.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4965 -4.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7877 -2.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3526 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4323 4.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 5.4151 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 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
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
15 30 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 19 1 0 0 0 0
25 40 1 0 0 0 0
40 41 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
42 41 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
20 21 1 0 0 0 0
27 56 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 52 1 0 0 0 0
71 72 1 0 0 0 0
58 71 1 0 0 0 0
73 74 1 0 0 0 0
36 73 1 0 0 0 0
75 76 1 0 0 0 0
67 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 0.6548 0.3568
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 0.5777 -0.5310
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 0.4854 -0.5584
S SKP 5
ID FL7AACGL0070
FORMULA C48H57O28
EXACTMASS 1081.30363624
AVERAGEMASS 1081.94938
SMILES OCC(O1)C(C(O)C(O)C1OC(C(O)6)C(OC(COC(=O)C=Cc(c7)ccc(OC(C(O)8)OC(C(O)C8O)CO)c7)C(O)6)Oc(c5)c([o+1]c(c53)cc(O)cc3OC(O4)C(C(O)C(C4CO)O)O)c(c2)ccc(c(O)2)O)O
M END
