Mol:FL5FA9GL0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.9516 1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9516 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2371 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8083 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0940 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 2.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6201 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0763 2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 3.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6201 3.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2371 -0.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9659 -1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3948 -2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3724 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3078 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9015 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0710 -0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6451 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7571 0.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3623 0.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2300 -0.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6366 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 -1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8817 -2.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8911 -3.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3003 -3.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 0.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5878 2.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2300 3.4160 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
41 42 1 0 0 0 0
1 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.6363 -0.4480
S SKP 5
ID FL5FA9GL0003
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C1OC(=C4c(c5)cccc5)C(c(c3O)c(O4)cc(c3)OC)=O)C(COC(O2)C(C(C(O)C(C)2)O)O)C(C(C1O)O)O
M END
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