Mol:FL7AAIGL0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
-1.9125 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9125 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6153 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6153 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 2.4300 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.9389 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2681 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2681 3.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 3.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9389 3.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8693 3.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2711 2.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9125 0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9894 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 4.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1994 4.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8740 2.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3786 0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6051 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5619 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3221 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0956 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1389 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5973 0.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9236 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7763 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1896 -0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4165 -1.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 -2.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 -3.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5675 -3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5314 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7483 -2.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7963 -3.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 -3.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3211 -2.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9685 -3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5507 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2117 -3.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -3.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2034 -4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4740 -4.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2516 -4.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 -3.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 -3.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 -3.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6886 -4.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 -4.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3177 -3.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1875 -1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2349 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8371 -1.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0632 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0158 -0.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4136 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3852 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7963 -2.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5368 -2.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9475 -2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 -1.0034 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 3 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
20 25 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
28 32 1 0 0 0 0
27 33 1 0 0 0 0
33 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
34 39 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
23 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 50 1 0 0 0 0
53 56 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
19 60 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
57 65 1 0 0 0 0
58 66 1 0 0 0 0
59 67 1 0 0 0 0
60 59 1 1 0 0 0
58 59 1 1 0 0 0
57 58 1 1 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0034
FORMULA C44H51O23
EXACTMASS 947.282112938
AVERAGEMASS 947.86194
SMILES OC(C(OC(=O)C=Cc(c7)ccc(O)c7)6)C(C(OC6C)OCC(C(O)5)OC(C(C5O)O)Oc(c2c(c4)cc(OC)c(O)c4OC)cc(c(OC(O3)C(O)C(O)C(C3CO)O)1)c([o+1]2)cc(O)c1)O
M END
