Mol:FL5FADGL0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.5959 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5959 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7919 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7919 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 0.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 -1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6234 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6234 2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 -1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4042 -2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9157 -3.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 -2.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8002 -3.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2967 -2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3493 -2.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 -2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3987 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9103 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -0.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2834 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9383 0.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -0.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5474 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1342 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -2.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3664 -3.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8002 -3.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -0.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2967 0.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 2.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6313 2.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1874 3.9213 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
15 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 43 44
M SBL 1 1 48
M SMT 1 OCH3
M SBV 1 48 -0.0079 -0.6422
S SKP 5
ID FL5FADGL0011
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES O=C(c23)C(OC(O4)C(O)C(O)C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)=C(Oc2cc(O)cc3O)c(c1)cc(OC)c(O)c1
M END
