Mol:FL5FAAGL0086
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.7410 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7410 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3121 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3121 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 1.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4023 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1167 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1167 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4023 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4023 -0.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0163 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7445 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7445 3.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0163 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 -0.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2520 3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4031 1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9250 -0.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0132 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 -0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1171 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5036 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2957 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1164 0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8681 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3482 -0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9375 1.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4608 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7744 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1119 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5933 1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5135 1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0787 1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1307 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0115 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9520 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5135 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5606 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7987 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1141 -2.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8073 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7839 1.8280 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
23 21 1 0 0 0 0
31 32 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
35 41 1 0 0 0 0
36 20 1 0 0 0 0
32 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
43 45 2 0 0 0 0
45 46 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 0 0 0 0
38 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 ^CH2OH
M SBV 1 59 0.6135 -0.5726
S SKP 5
ID FL5FAAGL0086
FORMULA C36H36O18
EXACTMASS 756.190164348
AVERAGEMASS 756.6602399999999
SMILES O(C=3c(c6)ccc(c6)O)c(c2C(C3OC(C4O)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(O)C4O)=O)cc(cc(O)2)OC(C(O)1)OC(CO)C(C1O)O
M END
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