Mol:FL7AADGL0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.5335 0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5336 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1314 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4302 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4302 0.8086 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0283 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4008 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4008 1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 2.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2345 0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0690 2.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8323 -1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4476 -2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9844 -3.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8751 -2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7713 -3.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2345 -2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 -2.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5917 -2.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 -0.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -1.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1560 -0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5069 -0.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7717 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8558 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9964 -1.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 -2.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3477 -3.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7314 -3.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 2.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2426 3.8724 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
20 29 1 0 0 0 0
42 43 1 0 0 0 0
15 42 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 OCH3
M SBV 1 47 0.0000 -0.6954
S SKP 5
ID FL7AADGL0006
FORMULA C28H33O15
EXACTMASS 609.181945386
AVERAGEMASS 609.5526199999999
SMILES C(O)(C(Oc(c3)c(c(c5)ccc(c5OC)O)[o+1]c(c4)c3c(cc4O)O)1)C(C(C(COC(O2)C(C(C(O)C(C)2)O)O)O1)O)O
M END
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