Mol:FL7AAHGL0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.1538 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1537 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4390 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4390 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0095 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0094 0.4380 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4197 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8768 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8768 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4198 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8682 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5775 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4390 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6296 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5387 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1941 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8568 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5235 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8682 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2055 -2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8459 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2254 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5549 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2369 -1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9794 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6391 -0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2696 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7027 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5996 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 -3.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5235 -3.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6051 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 2.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7154 3.6068 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
13 42 1 0 0 0 0
43 44 1 0 0 0 0
15 43 1 0 0 0 0
M CHG 1 10 1
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 0.0000 -0.7543
S SKP 5
ID FL7AAHGL0004
FORMULA C28H33O16
EXACTMASS 625.176860008
AVERAGEMASS 625.55202
SMILES c(c1)(c(O)5)c(cc(O)c5)[o+1]c(c(c4)cc(c(O)c4OC)O)c1OC(O2)C(O)C(O)C(C(COC(O3)C(C(C(O)C(C)3)O)O)2)O
M END
