Mol:FL5FDCGS0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.3065 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1224 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1224 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5512 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5512 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3169 1.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 1.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0447 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3396 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2361 2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7188 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3169 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3602 -1.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4723 -2.4322 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 1 0 0 0 0
32 33 1 0 0 0 0
8 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -0.8090 0.4671
S SKP 5
ID FL5FDCGS0004
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C
M END
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