Mol:FL5FACGA0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.9424 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9424 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2278 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5134 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5134 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2278 2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 2.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 0.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 2.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0652 2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0652 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2278 0.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8445 3.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7020 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7957 2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1776 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4067 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 -1.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0938 0.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 -1.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0701 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9701 -1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2294 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7957 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6820 1.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2294 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5384 -2.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 -3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0936 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 -3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -3.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 -3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 -3.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -4.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7602 -3.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4210 -3.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4161 -0.2961 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
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 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 32 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
28 32 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
44 39 1 0 0 0 0
42 46 1 0 0 0 0
41 47 1 0 0 0 0
40 48 1 0 0 0 0
43 49 1 0 0 0 0
39 31 1 0 0 0 0
16 50 1 0 0 0 0
23 20 1 0 0 0 0
34 51 1 0 0 0 0
51 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 0.0000 0.5604
S SKP 5
ID FL5FACGA0018
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O
M END
