Mol:FL3FACGS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.6055 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6055 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0148 -2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0148 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8759 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8759 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -1.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -3.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 -1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 -0.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -0.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3200 -1.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0148 -3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5780 0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8749 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3785 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6637 -1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9739 -1.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4751 -1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2053 -1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4299 -1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1524 -1.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 0.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1986 2.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7884 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2813 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2814 1.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5797 1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6428 2.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5125 2.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9851 0.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6357 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7047 3.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7839 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5780 -0.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 -0.2551 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 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
24 18 1 0 0 0 0
16 30 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 30 1 0 0 0 0
40 41 1 0 0 0 0
36 40 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
26 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 -0.0561 -0.5410
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 42 43 44
M SBL 2 1 48
M SMT 2 ^ COOH
M SBV 2 48 0.5785 -0.4704
S SKP 5
ID FL3FACGS0031
FORMULA C27H28O17
EXACTMASS 624.1326494699999
AVERAGEMASS 624.50102
SMILES c(c23)c(cc(c(C(=O)C=C(c(c4)cc(OC(O5)C(C(C(O)C(CO)5)O)O)c(c4)O)O3)2)O)OC(O1)C(C(C(O)C1C(O)=O)O)O
M END
