Mol:FL1ABGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
0.9833 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9833 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7679 -1.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2528 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7679 0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9332 0.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0768 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4900 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3162 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7295 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3162 0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4900 0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5544 -0.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7288 0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0863 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2012 0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7714 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4984 0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7729 1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5235 1.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 -0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9569 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2342 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0438 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6281 1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3509 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5414 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5544 1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0159 1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3369 0.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3326 -0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7288 -1.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -2.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2667 -2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7105 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5133 2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 27 1 0 0 0 0
10 24 1 0 0 0 0
14 40 1 0 0 0 0
41 42 1 0 0 0 0
6 41 1 0 0 0 0
43 44 1 0 0 0 0
26 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.0149 0.6820
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 ^CH2OH
M SBV 2 48 0.2121 -0.8574
S SKP 5
ID FL1ABGGS0001
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES CC(C(O)5)OC(C(C(O)5)O)OC(C4O)C(OC(C4O)Oc(c3)cc(c(c(OC)3)1)oc(=Cc(c2)cc(O)c(c(O)2)O)c(=O)1)CO
M END
