Mol:FL5FACGL0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.4009 1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4009 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5566 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5566 1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 2.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 -0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1543 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6037 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6037 3.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 3.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1543 3.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1118 2.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3094 0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2761 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8470 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6722 -1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5024 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9317 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1063 -1.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0842 0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7397 0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1689 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3436 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7385 1.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 1.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1118 0.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4247 0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 -0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2089 -1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1761 -2.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4626 -2.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 3.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 4.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9281 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -3.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 -3.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 -3.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -4.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 -4.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 -3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1311 -4.4405 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 44 1 0 0 0 0
45 49 1 0 0 0 0
46 50 1 0 0 0 0
47 41 1 0 0 0 0
51 52 1 0 0 0 0
45 51 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 57
M SMT 1 CH2OH
M SBV 1 57 -0.0011 -0.4645
S SKP 5
ID FL5FACGL0021
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(O2)C(C(C(C2COC(C(OC(O4)C(O)C(CO)(C4)O)3)OC(C)C(O)C3O)O)O)O)cc(cc(O)1)O
M END
