Mol:FL5FADGL0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.2401 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2401 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5257 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8113 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8113 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5257 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 -1.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3318 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3318 1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9543 1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1238 -0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5257 -1.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4891 2.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6873 -2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0611 -1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1763 -2.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0611 -3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6873 -3.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4499 -2.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5767 -1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9408 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3788 -4.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2113 -0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 -1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5975 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3870 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8134 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 -1.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 -1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2753 -1.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9543 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 -3.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 -3.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 3.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6415 4.2822 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 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 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
28 31 1 0 0 0 0
34 39 1 0 0 0 0
40 41 1 0 0 0 0
25 40 1 0 0 0 0
42 43 1 0 0 0 0
16 42 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 ^ CH2OH
M SBV 1 45 0.0413 0.7044
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 -0.0147 -0.7797
S SKP 5
ID FL5FADGL0003
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)O
M END
