Mol:FL7AAHGL0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-2.3746 1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3746 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4832 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4832 1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 2.0584 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2597 2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9742 1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 2.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9742 3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2597 2.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3288 3.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9545 1.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 -0.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3804 1.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1125 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9742 4.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 -1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1196 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1762 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 -0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 -2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5633 -2.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5481 -1.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 -2.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5365 -3.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7336 -3.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 -3.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 -2.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3040 -2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1125 -3.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7530 -2.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2568 -3.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9433 -4.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1241 -3.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6921 -3.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4769 -1.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -2.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6847 -1.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3536 -3.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2524 -3.8769 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
15 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
34 39 1 0 0 0 0
27 20 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
47 51 1 0 0 0 0
46 52 1 0 0 0 0
45 53 1 0 0 0 0
48 30 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0024
FORMULA C33H41O20
EXACTMASS 757.219118752
AVERAGEMASS 757.6666399999999
SMILES OC(C6O)C(O)C(OC(C)6)OCC(O2)C(C(O)C(C(Oc(c4c(c5)cc(c(c(OC)5)O)O)cc(c3[o+1]4)c(O)cc(c3)O)2)OC(C1O)OCC(C1O)O)O
M END
