Mol:FL5FAAGA0016
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-3.0945 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0945 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6726 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6726 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2506 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2506 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 2.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 0.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1847 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 3.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1847 4.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 3.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8053 2.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6338 4.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5169 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9348 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1918 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -0.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1918 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9348 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6991 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 0.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9684 -3.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1434 -3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 -3.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1159 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7092 -2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3142 -2.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5640 -3.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 -3.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 -4.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8887 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3731 1.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8887 1.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8887 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8053 0.0947 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 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 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
31 32 1 0 0 0 0
23 21 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 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 42 1 0 0 0 0
37 32 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 43 1 0 0 0 0
44 48 1 0 0 0 0
43 28 1 0 0 0 0
45 49 1 0 0 0 0
50 51 1 0 0 0 0
45 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 0.0000 0.6201
S SKP 5
ID FL5FAAGA0016
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES OC(C2O)C(OC(OC(C(=O)6)=C(Oc(c65)cc(cc(O)5)O)c(c4)ccc(O)c4)C2OC(C3O)OCC(O)(CO)3)COC(C(O)1)OC(C)C(O)C(O)1
M END
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