Mol:FL3FAACS0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.4377 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 -1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0088 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0088 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 -2.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4377 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 -2.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6681 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6681 -0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3515 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 -3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1106 -1.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2191 1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1953 0.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0841 -0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5954 0.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1078 0.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7982 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9163 2.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 1.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6439 -0.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 2.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1808 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3745 2.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1998 2.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5634 1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1565 2.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9455 1.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3515 2.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1998 3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6350 3.2977 0.0000 C 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
5 11 2 0 0 0 0
1 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 31 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
7 24 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 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 28 1 0 0 0 0
S SKP 5
ID FL3FAACS0085
FORMULA C29H32O15
EXACTMASS 620.174120354
AVERAGEMASS 620.55538
SMILES O(C(O5)C(C(O)C(C5C)O)O)C(C(CO)4)C(C(OC(C)=O)C(O4)c(c(O)3)c(c(c(O)c3)1)OC(c(c2)ccc(c2)O)=CC1=O)O
M END
