Mol:FL3FAACS0036
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-0.0838 -0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 -1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 -1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3451 -1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3451 -0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 -0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0595 -1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7740 -1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7740 -0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0595 -0.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0595 -2.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7980 -0.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1003 1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4302 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4391 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0341 0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4080 2.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1003 2.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0016 0.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 -2.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6472 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4001 -0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1529 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1529 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4001 1.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6472 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 1.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6982 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 -2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8727 -1.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3539 -1.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9544 -1.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 -1.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7499 -2.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9623 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9554 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4786 -1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7922 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1298 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6112 -0.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2117 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4731 -0.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0670 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2193 -1.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5117 -0.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6784 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9053 0.0703 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
9 23 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 48 1 0 0 0 0
48 49 1 0 0 0 0
35 49 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 50 51
M SBL 1 1 56
M SMT 1 ^ CH2OH
M SBV 1 56 0.4666 -0.4666
S SKP 5
ID FL3FAACS0036
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(C(O6)C(O)C(C(C(CO)6)O)O)CC(C(O)5)OC(C(O)C(O)5)c(c(O)1)c(c(C(C4O)OCC(C4O)O)c(O2)c1C(=O)C=C(c(c3)ccc(c3)O)2)O
M END
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