Mol:FL5FDFGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-3.2024 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2024 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 -0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8004 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8004 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 -0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 -1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3024 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3024 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5501 -2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0617 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0011 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9461 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4632 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4952 -2.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7209 -2.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5860 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0369 -0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9820 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4706 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5311 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3407 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1875 0.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3215 -1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 -3.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3679 -3.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9461 -3.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7879 -0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6011 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8333 1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4632 2.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 2.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 3.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3782 2.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4695 2.7783 0.0000 C 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
18 19 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 32 1 0 0 0 0
29 33 1 0 0 0 0
28 34 1 0 0 0 0
22 35 1 0 0 0 0
34 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
31 8 1 0 0 0 0
26 31 1 0 0 0 0
25 39 1 0 0 0 0
40 41 1 0 0 0 0
3 40 1 0 0 0 0
42 43 1 0 0 0 0
1 42 1 0 0 0 0
44 45 1 0 0 0 0
16 44 1 0 0 0 0
46 47 1 0 0 0 0
15 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 OCH3
M SBV 1 45 0.0000 0.7737
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ OCH3
M SBV 2 47 0.6309 -0.4865
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 OCH3
M SBV 3 49 0.0000 -0.6860
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 46 47
M SBL 4 1 51
M SMT 4 OCH3
M SBV 4 51 -0.6469 -0.3928
S SKP 5
ID FL5FDFGL0001
FORMULA C31H38O16
EXACTMASS 666.215985168
AVERAGEMASS 666.62382
SMILES O=C(C=2OC(C4O)OC(COC(C5O)OC(C(C(O)5)O)C)C(C(O)4)O)c(c(OC(c(c3)cc(OC)c(OC)c3)2)1)c(cc(OC)c1)OC
M END
