Mol:FL3FCADS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.2286 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2286 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9148 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6292 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6292 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9148 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2749 1.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9148 -0.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 -0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0103 1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7248 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 2.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7248 2.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0103 2.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0544 2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8987 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2284 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8158 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0174 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2239 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6365 0.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4349 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8999 0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7509 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8339 0.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5105 0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4863 -0.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1085 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5321 -1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7353 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9404 -1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5165 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3135 -1.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9516 -2.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1978 -2.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9622 -1.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8042 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0118 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8499 1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1476 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6862 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8051 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4089 -1.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6918 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9622 1.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
11 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 9 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 32 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
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 20 1 0 0 0 0
S SKP 5
ID FL3FCADS0007
FORMULA C34H42O19
EXACTMASS 754.2320291619999
AVERAGEMASS 754.68588
SMILES c(c1OC(C6O)OC(C(O)C6O)CO)cc(C(O2)=CC(=O)c(c(O)3)c2cc(OC)c(C(C(OC(C(O)5)OC(C(O)C5O)C)4)OC(C(O)C4O)CO)3)cc1
M END
