Mol:FL5FAEGA0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.4406 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4406 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7396 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0385 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0385 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7396 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 1.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 -0.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0643 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4933 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4933 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0643 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7396 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3740 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8854 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1413 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 -2.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6331 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3479 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8594 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7438 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2325 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2931 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 -0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 0.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0986 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5997 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0613 -1.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2763 -2.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 -3.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5887 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1413 1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1079 2.1548 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
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
16 42 1 0 0 0 0
43 44 1 0 0 0 0
15 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 OCH3
M SBV 1 48 -0.7143 -0.4124
S SKP 5
ID FL5FAEGA0003
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(O1)(c(c5)ccc(c(O)5)OC)=C(OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)C(=O)c(c2O)c1cc(O)c2
M END
