Mol:FL5FADGA0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.5334 1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5334 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 1.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7293 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7293 1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 1.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 -0.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0285 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4005 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4005 2.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0285 2.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 -0.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3224 -2.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8339 -3.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 -3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7184 -3.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2341 -2.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3588 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5877 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8393 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6101 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3587 -0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0922 -0.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9162 -0.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2802 0.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5151 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9479 -1.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1125 -3.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2433 -4.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7198 -4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7183 0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2341 1.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 2.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6938 3.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2499 4.5201 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 -0.6628
S SKP 5
ID FL5FADGA0007
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
