Mol:FL5FAAGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
0.0855 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0855 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5622 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5622 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3004 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0387 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0387 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3004 0.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3004 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6794 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4319 0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1843 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1843 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4319 2.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6794 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 -1.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8053 2.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7862 -0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5454 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2559 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0305 -1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2559 -1.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5454 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7708 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6434 -1.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6468 -2.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1890 -3.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5491 -2.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4513 0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6726 1.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4513 2.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 2.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9272 2.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9691 3.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5757 3.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5529 2.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8183 1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2692 1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7766 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0673 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8802 1.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5007 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8053 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4400 0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3707 0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1313 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0738 1.3523 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
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 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 20 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 41 1 0 0 0 0
33 21 1 0 0 0 0
51 52 1 0 0 0 0
47 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 ^CH2OH
M SBV 1 57 0.6306 -0.5649
S SKP 5
ID FL5FAAGS0043
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(O)(C6O)C(CO)OC(C6O)OC(C(Oc(c2)cc(O)c(C4=O)c2OC(=C4OC(C5O)OC(C(C5O)O)C)c(c3)ccc(c3)O)1)C(C(C(O1)C)O)O
M END
