Mol:FL5FAAGL0055
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-2.7082 1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7082 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2791 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2791 1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 1.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1499 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1499 1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 1.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 -0.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0496 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 1.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5061 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5061 2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 3.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0496 2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 3.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8734 -0.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5617 1.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0346 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7482 -2.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0034 -0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2877 -1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2023 -3.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6478 -2.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 -1.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 -1.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6569 -1.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2467 -2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4483 -3.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -3.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6791 -2.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0448 -1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5374 -2.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3775 -3.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9341 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4501 -1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1931 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9100 -1.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 -0.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8534 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9708 -1.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5244 -0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9559 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2813 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4953 2.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2813 3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9559 3.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7419 2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6607 4.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2922 3.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3061 3.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5244 1.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1082 -0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6607 0.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9519 -4.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2026 -3.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3799 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5630 -2.6552 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
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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 30 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
41 46 1 0 0 0 0
42 47 1 0 0 0 0
37 40 1 0 0 0 0
43 48 1 0 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 1 0 0 0
54 49 1 1 0 0 0
53 55 1 0 0 0 0
52 56 1 0 0 0 0
54 57 1 0 0 0 0
49 58 1 0 0 0 0
50 21 1 0 0 0 0
59 60 1 0 0 0 0
44 59 1 0 0 0 0
61 62 1 0 0 0 0
34 61 1 0 0 0 0
63 64 1 0 0 0 0
27 63 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 59 60
M SBL 1 1 66
M SMT 1 CH2OH
M SBV 1 66 -0.7192 -0.0462
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 61 62
M SBL 2 1 68
M SMT 2 CH2OH
M SBV 2 68 -0.5036 0.9421
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 63 64
M SBL 3 1 70
M SMT 3 ^ CH2OH
M SBV 3 70 0.7367 0.2326
S SKP 5
ID FL5FAAGL0055
FORMULA C39H50O25
EXACTMASS 918.26411715
AVERAGEMASS 918.7993
SMILES C(O)(C(O)1)C(OC(OC(C(=O)5)=C(Oc(c6)c5c(cc6OC(O7)C(C(O)C(O)C(C)7)O)O)c(c4)ccc(c4)O)C1OC(O2)C(OC(O3)C(C(C(C3CO)O)O)O)C(C(C(CO)2)O)O)CO
M END
