Mol:FL1C1AGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 56 0 0 0 0 0 0 0 0999 V2000
-3.5142 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5142 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7997 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0853 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0853 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7997 2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0581 2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7726 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 3.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7726 4.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0581 3.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 0.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7997 0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2009 2.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9088 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1942 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6256 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6279 -1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9145 -2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9167 -2.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 -3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3457 -2.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3435 -2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6345 -4.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2327 -3.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2327 -4.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3612 4.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5553 1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3933 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8426 3.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0384 3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0044 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 2.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1921 1.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8758 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 1.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 3.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6490 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6490 -0.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 -0.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6652 0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2009 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2838 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 0.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0974 0.8927 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
50 44 1 1 0 0 0
49 44 1 1 0 0 0
48 50 1 1 0 0 0
44 45 1 0 0 0 0
50 46 1 0 0 0 0
51 48 1 0 0 0 0
47 52 1 0 0 0 0
49 51 1 0 0 0 0
44 47 1 0 0 0 0
48 43 1 0 0 0 0
36 32 1 0 0 0 0
52 19 1 0 0 0 0
32 13 1 0 0 0 0
S SKP 5
ID FL1C1AGS0010
FORMULA C36H38O16
EXACTMASS 726.215985168
AVERAGEMASS 726.67732
SMILES Oc(c(OC)1)ccc(C=CC(=O)OCC(C(O)2)(COC2OC(C3O)C(Oc(c4)ccc(C=CC(c(c5)c(cc(c5)O)O)=O)c4)OC(CO)C(O)3)O)c1
M END
