Mol:FL7AACGL0017
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.5010 1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5010 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3337 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3337 1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 1.7490 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0421 1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7643 1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4866 1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4866 2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7643 2.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 -0.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7643 3.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0777 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6145 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -2.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6145 -3.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3431 -2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5543 -0.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -2.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3630 -3.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 1.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8694 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6296 0.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5045 0.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8858 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1255 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2247 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0631 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2865 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2086 2.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4212 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9095 -1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1727 -1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4617 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9783 -0.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6230 -0.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0487 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5974 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 -1.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1107 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0631 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 -3.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5445 -3.1774 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
3 17 1 0 0 0 0
15 18 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
1 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
33 37 1 0 0 0 0
32 38 1 0 0 0 0
30 26 1 0 0 0 0
14 39 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 17 1 0 0 0 0
49 50 1 0 0 0 0
45 49 1 0 0 0 0
51 52 1 0 0 0 0
23 51 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 ^ CH2OH
M SBV 1 55 0.4877 -0.5796
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 ^ CH2OH
M SBV 2 57 0.0353 0.7446
S SKP 5
ID FL7AACGL0017
FORMULA C32H39O20
EXACTMASS 743.2034686879999
AVERAGEMASS 743.64006
SMILES OCC(O1)C(O)C(C(O)C1Oc(c52)cc(cc2[o+1]c(c(c6)ccc(O)c6O)c(c5)OC(O4)C(C(O)C(O)C4CO)OC(O3)C(C(C(O)C3)O)O)O)O
M END
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