Mol:FL3FAADS0020
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-2.0662 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6618 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6618 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0404 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7426 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7426 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0404 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0404 -3.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2193 1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6507 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0658 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6178 2.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1218 -0.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 -3.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5227 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2626 -1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0026 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0026 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2626 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5227 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7421 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7658 -2.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2973 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6226 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9717 -3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4446 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0350 -2.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5839 -1.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0276 -3.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1839 -3.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8618 3.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0974 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4218 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0153 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6302 2.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4873 3.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0974 3.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0023 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0236 1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0179 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0219 2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0276 2.2614 0.0000 O 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 29 1 0 0 0 0
48 49 1 0 0 0 0
18 48 1 0 0 0 0
50 51 1 0 0 0 0
44 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 CH2OH
M SBV 1 54 -0.4272 -0.4272
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 56
M SMT 2 CH2OH
M SBV 2 56 -0.3916 -0.3916
S SKP 5
ID FL3FAADS0020
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES OC(C(O)1)C(C(CO)OC1c(c52)c(c(C(C(O)6)OCC(O)C6O)c(O)c2C(=O)C=C(O5)c(c3)ccc(OC(O4)C(O)C(C(O)C(CO)4)O)c3)O)O
M END
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