Mol:FL7AACGL0090
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
-2.1328 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1328 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 3.3553 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4336 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8620 3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8620 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 4.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 3.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 0.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1736 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -1.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5742 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8757 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7991 -0.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 -1.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3820 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5769 4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7659 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4870 0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0260 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9798 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0137 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2012 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0391 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7432 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4524 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1744 -0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2022 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0976 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0976 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -4.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5261 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5261 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2410 -4.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3827 -4.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1025 -0.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1689 -1.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 -2.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 -4.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -4.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 -5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 0.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0391 1.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7099 1.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2468 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5511 1.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6370 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7073 0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0712 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1608 0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0902 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8141 2.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6678 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 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
5 10 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
11 16 1 0 0 0 0
1 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 1 0 0 0
21 27 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
23 27 1 0 0 0 0
24 26 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
25 28 1 0 0 0 0
18 20 1 0 0 0 0
21 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
14 32 1 0 0 0 0
33 34 1 0 0 0 0
34 40 1 1 0 0 0
35 41 1 1 0 0 0
35 36 1 0 0 0 0
33 36 1 0 0 0 0
37 41 1 0 0 0 0
38 40 1 0 0 0 0
34 39 1 0 0 0 0
40 41 1 1 0 0 0
24 35 1 0 0 0 0
37 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
46 51 1 0 0 0 0
49 52 1 0 0 0 0
50 53 1 0 0 0 0
48 54 1 0 0 0 0
30 55 2 0 0 0 0
30 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
58 63 1 0 0 0 0
61 64 1 0 0 0 0
3 65 1 0 0 0 0
67 68 1 0 0 0 0
68 74 1 1 0 0 0
69 75 1 1 0 0 0
69 70 1 0 0 0 0
67 70 1 0 0 0 0
66 69 1 0 0 0 0
71 75 1 0 0 0 0
72 74 1 0 0 0 0
70 73 1 0 0 0 0
74 75 1 1 0 0 0
73 76 1 0 0 0 0
65 68 1 0 0 0 0
53 77 1 0 0 0 0
54 78 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0090
FORMULA C52H55O26
EXACTMASS 1095.298156932
AVERAGEMASS 1095.9775
SMILES c([o+1]7)(c(c8)ccc(c8O)O)c(cc(c75)c(OC(C6O)OC(C(C6O)O)CO)cc(c5)O)OC(C2OC(O3)C(OC(C=Cc(c4)cc(OC)c(O)c(OC)4)=O)C(C(O)C3)O)OC(C(C(O)2)O)COC(=O)C=Cc(c1)ccc(O)c1
M END
