Mol:FL5FABGI0021
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
63 68 0 0 0 0 0 0 0 0999 V2000
-1.4688 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4688 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5003 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5003 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 -0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1915 1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9479 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9479 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1915 3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3555 1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 -0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2794 -0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0235 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7379 -1.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5113 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7379 -0.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0235 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2502 -0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1262 -0.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2143 -2.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6966 -2.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0131 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9213 1.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4260 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7128 1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0246 1.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5247 1.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0729 1.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9727 0.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6173 -2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1124 -2.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8256 -2.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0138 -2.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3898 -2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0567 -2.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3404 -3.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5038 -3.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 2.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 4.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 4.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2600 -3.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9344 -3.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0207 -3.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0652 -3.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7345 -3.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 -4.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5902 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5436 2.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8646 2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8013 1.8694 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
8 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 20 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 18 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 28 1 0 0 0 0
6 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
29 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
47 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
60 61 1 0 0 0 0
15 60 1 0 0 0 0
62 63 1 0 0 0 0
36 62 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 60 61
M SBL 1 1 66
M SMT 1 OCH3
M SBV 1 66 -0.6423 -0.5758
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 62 63
M SBL 2 1 68
M SMT 2 ^CH2OH
M SBV 2 68 0.7160 -0.6325
S SKP 5
ID FL5FABGI0021
FORMULA C42H52O21
EXACTMASS 892.300108726
AVERAGEMASS 892.8496799999999
SMILES O(C(C(O)2)C(OC(C)=O)C(OC(OC(C(=O)5)=C(c(c6)ccc(c6)OC)Oc(c53)c(c(OC(C4O)OC(C(O)C4O)CO)cc(O)3)CC=C(C)C)2)C)C(C1O)OCC(C1OC(C)=O)O
M END
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