Mol:FL5FAAGL0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.3346 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3346 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 0.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 -1.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1715 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6008 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6008 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1715 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0356 0.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3153 1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3134 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7041 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9120 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1634 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9120 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7041 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4528 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3831 3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9120 2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1226 2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3717 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1516 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9220 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9413 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7742 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5571 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5377 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5198 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -3.0441 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 19 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
37 32 1 0 0 0 0
33 39 1 0 0 0 0
21 34 1 0 0 0 0
38 40 1 0 0 0 0
41 42 1 0 0 0 0
36 41 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 CH2OH
M SBV 1 46 -0.7456 0.0437
S SKP 5
ID FL5FAAGL0017
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(C(O)4)O)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O
M END
