Mol:FL5FACGA0015
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-3.0310 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9274 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9274 1.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9274 -0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4748 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 2.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4748 2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7320 1.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -0.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6763 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 -2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4026 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9795 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0351 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6167 0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9060 1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3174 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5579 -0.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1486 -2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 -2.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 -2.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7033 2.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 3.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8553 -2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3187 -3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4541 -3.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1998 -3.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 -2.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0181 -2.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -2.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0094 -3.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2077 -3.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5578 -2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 -2.1298 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 40 1 0 0 0 0
53 54 1 0 0 0 0
49 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 0.5397 -0.5627
S SKP 5
ID FL5FACGA0015
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c21)(OC(c(c6)ccc(O)c6O)=C(OC(O3)C(O)C(C(C3COC(O4)C(C(OC(C5O)OC(CO)C(C5O)O)C(C(C)4)O)O)O)O)C2=O)cc(cc1O)O
M END
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