Mol:FL5FADGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.0559 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -1.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7016 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4298 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1579 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1579 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4298 1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7016 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8590 1.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6824 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 -1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2702 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7934 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1070 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4445 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9259 0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5264 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8590 0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5145 0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4853 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1442 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 -3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 -1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1442 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3624 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4278 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1373 -3.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6352 -3.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0876 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0671 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7901 1.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4239 2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9908 3.7740 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
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 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 21 1 0 0 0 0
27 41 1 0 0 0 0
41 42 1 0 0 0 0
43 44 1 0 0 0 0
16 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 45
M SMT 1 ^ CH2OH
M SBV 1 45 0.5407 -0.6357
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 0.0059 -0.6766
S SKP 5
ID FL5FADGS0014
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES O(c(c5)cc(O3)c(c5O)C(C(=C(c(c4)cc(OC)c(O)c4)3)OC(C2O)OC(C)C(C(O)2)O)=O)C(O1)C(O)C(O)C(O)C(CO)1
M END
