Mol:FL7AACGL0119
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.5628 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1339 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1339 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5805 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2950 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2950 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5805 2.8166 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.0715 2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5005 2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5005 3.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 4.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0715 3.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1407 4.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1535 1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 2.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1454 2.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 -0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3926 -0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7116 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9657 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4282 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5363 -0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0164 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 -0.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5754 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1273 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3405 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 0.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7715 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9187 -0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8223 0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1454 0.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1986 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8647 1.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 -0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2572 -2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5601 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8862 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7357 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7398 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2160 -2.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4066 -2.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3673 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3673 -1.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0764 -0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4973 -2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4932 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7748 -3.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0643 -2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0683 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7748 -4.0900 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 18 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
37 41 1 0 0 0 0
41 42 1 0 0 0 0
43 28 1 0 0 0 0
35 20 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
46 50 1 0 0 0 0
45 51 1 0 0 0 0
44 52 1 0 0 0 0
47 31 1 0 0 0 0
53 54 2 0 0 0 0
53 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 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
43 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0119
FORMULA C41H45O22
EXACTMASS 889.240248124
AVERAGEMASS 889.7828
SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O
M END
