Mol:FL5FAAGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-1.4125 0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4125 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 -1.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0922 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5212 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5212 1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0922 1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1133 1.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0641 -0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 -1.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3200 2.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1122 1.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 2.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 2.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3881 3.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9019 3.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9841 2.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3200 1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7522 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5438 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2926 -1.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5438 -0.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7522 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0033 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9554 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3527 -3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0741 -2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1682 -2.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7061 -3.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4809 -3.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2284 -3.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6853 -2.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8939 -2.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5222 -3.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 -3.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3181 -3.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3100 -2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9224 -2.1177 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
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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 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
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 19 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 39 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 0.5839 -0.5626
S SKP 5
ID FL5FAAGS0041
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(C1=O)(OC(O6)C(O)C(C(O)C6C)OC(O5)C(C(C(O)C5CO)O)O)=C(c(c4)ccc(O)c4)Oc(c2)c1c(O)cc(OC(C3O)OC(C)C(C3O)O)2
M END
