Mol:FL7AAGGL0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-2.6187 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6187 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 -0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1896 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1896 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4750 -0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2395 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2395 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4750 0.7898 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.9538 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3329 0.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1384 2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 -1.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4501 -1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9733 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2868 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6244 -2.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0055 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5707 -2.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -2.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1590 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1075 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7212 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 -0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5563 -0.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2449 -0.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1557 -0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9201 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1745 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8636 -2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4143 -1.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1590 -0.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8273 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4143 -0.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8260 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1384 0.3694 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 19 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
20 33 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
31 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
13 50 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0019
FORMULA C31H35O19
EXACTMASS 711.1772539379999
AVERAGEMASS 711.5982
SMILES OC(C1O)C(O)C(COC(C)=O)OC(Oc(c5)c(c2)c(cc(O)5)[o+1]c(c(c4)cc(O)c(c4O)O)c2OC(C(O)3)OC(C(O)C(O)3)COC(C)=O)1
M END
