Mol:FL5FAAGL0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-4.0602 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0602 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1597 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1597 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7610 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5885 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5294 0.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4087 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2483 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4452 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3929 -2.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9240 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1244 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6819 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6966 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2361 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6886 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9132 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9314 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -2.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9989 -2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5989 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -2.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5708 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7610 0.8737 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 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
24 28 1 0 0 0 0
23 29 1 0 0 0 0
26 21 1 0 0 0 0
25 30 1 0 0 0 0
22 31 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 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
30 32 1 0 0 0 0
35 40 1 0 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 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
46 49 1 0 0 0 0
41 50 1 0 0 0 0
42 51 1 0 0 0 0
51 31 1 0 0 0 0
52 53 1 0 0 0 0
36 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.8742 0.0041
S SKP 5
ID FL5FAAGL0029
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O
M END
