Mol:FL5FFCGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.1719 -0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1719 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2570 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2570 -0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 -2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 -0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 -0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 -2.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4000 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8563 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8563 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4000 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -2.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6356 0.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0253 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4473 -2.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 1.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4496 0.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6163 1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5180 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7901 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3890 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 1.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1990 1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5487 -0.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 -1.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4718 -0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3703 -0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6959 -0.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4919 0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9281 0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6356 -0.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9669 -1.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3068 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6647 2.9889 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
6 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
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
23 27 1 0 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
38 41 1 0 0 0 0
33 42 1 0 0 0 0
34 20 1 0 0 0 0
43 44 1 0 0 0 0
29 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ CH2OH
M SBV 1 48 0.2392 -0.9254
S SKP 5
ID FL5FFCGS0009
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(c5)(ccc(c(O)5)O)C(=C(O)1)Oc(c2OC(C(O)4)OC(CO)C(O)C(O)4)c(c(O)cc2OC(C3O)OC(C)C(C(O)3)O)C(=O)1
M END
