Mol:FL5FAGGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
3.4518 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7374 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4518 3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1662 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1662 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0229 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0229 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1204 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8349 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8349 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1204 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1204 0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8807 3.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4518 4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8441 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1720 2.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7593 2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5802 2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6578 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3233 3.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8807 2.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5573 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3681 1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7015 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2310 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0516 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1832 0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5221 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3521 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9679 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0861 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3374 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1427 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5697 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7718 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7642 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3241 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0134 -3.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9229 -2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 18 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
35 44 1 0 0 0 0
39 19 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 41 1 0 0 0 0
S SKP 5
ID FL5FAGGS0026
FORMULA C33H40O22
EXACTMASS 788.201122964
AVERAGEMASS 788.6575
SMILES C(O)(C1OC(C6O)OC(C(C6O)O)CO)C(O)C(OC(OC(C(=O)2)=C(c(c5)cc(O)c(O)c5O)Oc(c3)c(c(O)cc(OC(O4)C(O)C(C(O)C4CO)O)3)2)1)C
M END
