Mol:FL3FAAGS0054
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-2.3379 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6369 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6369 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2350 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4658 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4658 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2350 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2350 -2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5954 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5954 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -0.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2683 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6369 -2.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0621 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1940 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2828 0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8085 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8703 0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5716 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8503 1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2828 -0.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6335 1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9668 1.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3793 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3793 0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8079 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5041 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6313 0.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4212 -0.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8637 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7365 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7541 0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0686 -0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8503 -1.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4585 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7319 2.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7860 2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5455 -0.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4770 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7258 -2.5788 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
23 28 1 0 0 0 0
26 29 1 0 0 0 0
24 18 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
34 40 1 0 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
19 35 1 0 0 0 0
36 37 1 1 0 0 0
27 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
22 46 1 0 0 0 0
47 48 1 0 0 0 0
37 47 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 52
M SMT 1 CH2OH
M SBV 1 52 -0.6132 0.5692
S SKP 5
ID FL3FAAGS0054
FORMULA C31H34O17
EXACTMASS 678.179599662
AVERAGEMASS 678.5914600000001
SMILES C(C(=O)3)=C(Oc(c4)c3c(cc4OC(C(O)5)OC(C(OC(C)=O)C(O)5)COC(C)=O)O)c(c1)ccc(OC(O2)C(C(C(C(CO)2)O)O)O)c1
M END
