Mol:FL5FAAGL0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
60 65 0 0 0 0 0 0 0 0999 V2000
-3.3886 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3886 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9597 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9597 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3689 4.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0971 3.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 4.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0971 5.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3689 5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 1.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8445 5.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0242 4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 1.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6505 -3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1125 -3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2679 -3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7271 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5806 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9543 -3.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 -3.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0757 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 -4.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9543 -4.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8226 -3.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3766 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4832 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7668 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4832 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3766 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8435 -0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1618 -1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 -1.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 -2.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3681 3.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1281 2.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7287 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3190 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0611 -2.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 -2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3984 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3984 -3.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7724 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7724 -4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3984 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0242 -4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0242 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3984 -5.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0611 -2.9428 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
20 1 1 0 0 0 0
21 8 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 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
38 40 1 0 0 0 0
37 41 1 0 0 0 0
36 42 1 0 0 0 0
34 21 1 0 0 0 0
22 43 1 0 0 0 0
43 42 1 0 0 0 0
4 3 1 0 0 0 0
39 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 2 0 0 0 0
40 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 2 0 0 0 0
41 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 53 1 0 0 0 0
56 59 1 0 0 0 0
50 60 2 0 0 0 0
S SKP 5
ID FL5FAAGL0076
FORMULA C43H36O17
EXACTMASS 824.1952497259999
AVERAGEMASS 824.7357400000001
SMILES C(C1OC(C=Cc(c6)ccc(c6)O)=O)(COC(C=Cc(c5)ccc(O)c5)=O)OC(OC(=C(c(c4)ccc(c4)O)2)C(c(c(O)3)c(cc(O)c3)O2)=O)C(OC(C)=O)C(OC(=O)C)1
M END
