Mol:FL7AAHGL0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
-1.4167 4.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4167 4.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 3.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 4.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 4.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 5.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 3.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4411 4.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4411 4.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 5.3694 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.2177 5.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9322 4.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6466 5.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6466 6.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9322 6.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 6.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 6.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 5.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 2.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0913 3.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3384 5.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0705 5.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9278 1.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7471 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3870 2.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5678 2.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4473 1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 2.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2156 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4745 0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5073 1.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9322 7.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2138 2.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7631 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9773 2.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 2.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 3.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4092 2.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4347 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8508 2.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4624 2.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7718 3.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4200 3.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8698 0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2825 -0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4890 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3047 -0.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0195 -0.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0641 -0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9107 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9107 -1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6242 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3378 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3378 -1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0522 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0522 -2.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3378 -3.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6233 -2.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6233 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3378 -3.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7245 -6.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0098 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2190 -5.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9921 -4.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7069 -5.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4978 -5.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9589 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0705 -6.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6304 -7.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1643 -6.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5364 -4.8778 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
26 20 1 0 0 0 0
15 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
37 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
40 44 1 0 0 0 0
44 45 1 0 0 0 0
38 19 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
47 54 1 0 0 0 0
46 55 1 0 0 0 0
50 33 1 0 0 0 0
56 57 2 0 0 0 0
56 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
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 60 1 0 0 0 0
63 66 1 0 0 0 0
54 56 1 0 0 0 0
67 68 1 1 0 0 0
68 69 1 1 0 0 0
70 69 1 1 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 67 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
67 75 1 0 0 0 0
68 76 1 0 0 0 0
69 77 1 0 0 0 0
70 66 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0022
FORMULA C49H59O28
EXACTMASS 1095.3192863040001
AVERAGEMASS 1095.9759600000002
SMILES C(C(C(O)8)OC(C(O)C8O)Oc(c1)ccc(C=CC(OC(C(O)7)C(OC(C(O)7)OCC(C(O)2)OC(Oc(c5c(c6)cc(c(O)c(O)6)OC)cc(c([o+1]5)4)c(cc(O)c4)OC(O3)C(O)C(C(C3CO)O)O)C(O)C2O)C)=O)c1)O
M END
