Mol:FL7AAAGL0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
68 74 0 0 0 0 0 0 0 0999 V2000
-1.6547 2.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6547 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2257 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2257 2.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2033 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2033 2.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 2.8760 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.9176 2.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6459 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 2.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6459 4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9176 3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1021 4.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 1.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7871 -0.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 -0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0455 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2384 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 -1.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6672 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4944 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2373 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9543 0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4333 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7833 1.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8976 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8707 0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4341 1.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9558 -1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4417 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 -0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2786 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6161 0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0975 0.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0179 0.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6244 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 -0.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 1.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7594 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3176 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8758 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8758 2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4341 1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7594 2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 -2.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9602 -3.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6508 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5531 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9714 -2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 -2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 -4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9714 -4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0621 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
30 40 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 19 1 0 0 0 0
46 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 2 0 0 0 0
52 57 2 0 0 0 0
40 58 1 0 0 0 0
58 59 2 0 0 0 0
58 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 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
67 62 1 0 0 0 0
65 68 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0041
FORMULA C44H47O24
EXACTMASS 959.245727432
AVERAGEMASS 959.8295800000001
SMILES C(C(O)7)(O)C(OCC7O)OC(C(Oc(c5)c(c(c6)ccc(c6)O)[o+1]c(c35)cc(O)cc3OC(C(O)4)OC(C(C(O)4)O)COC(=O)CC(O)=O)1)C(C(O)C(COC(=O)C=Cc(c2)ccc(O)c2)O1)O
M END
