Mol:FL5FAAGS0131
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
2.8020 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5164 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5164 5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0558 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7703 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7703 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0558 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4848 3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8315 5.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0558 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2466 4.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8340 3.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6547 4.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4531 4.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7531 4.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3980 4.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8315 4.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4463 3.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5870 3.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8008 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4274 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2402 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3172 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 1.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4288 0.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2275 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2641 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2881 0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 -2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9672 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0386 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5191 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7073 -0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6357 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8180 -2.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6781 -2.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8738 -0.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 -3.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7229 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1388 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8990 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4871 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3368 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7493 -3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5742 -3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9867 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5742 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7493 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8106 -4.4433 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
5 20 1 0 0 0 0
16 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 19 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
46 39 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
53 43 1 0 0 0 0
S SKP 5
ID FL5FAAGS0131
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O
M END
