Mol:FL7AACGA0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.3873 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 2.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 2.0540 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.1860 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 3.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1860 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1018 2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3711 3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 -0.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1931 0.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9901 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2593 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4172 -1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7723 -0.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8548 -1.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3557 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2137 -2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0727 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8158 -0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5329 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0119 0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3616 -0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4139 -0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3187 -0.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0115 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 4.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9526 -3.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5072 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 -3.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3189 -3.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8374 -3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2366 -3.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1248 -3.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7738 -3.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2175 -4.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 -2.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1520 -2.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8765 -2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8765 -1.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5833 -2.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3781 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0540 -2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7068 -2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3597 -2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3597 -3.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7068 -4.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0540 -3.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0115 -4.0205 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
15 40 1 0 0 0 0
30 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 41 1 0 0 0 0
47 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGA0009
FORMULA C41H45O22
EXACTMASS 889.240248124
AVERAGEMASS 889.7828
SMILES C(OC(O7)C(C(C(O)C7)O)O)(C6O)C(OC(C(O)6)COC(C5O)OC(C(C(O)5)O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c2c(c3)ccc(c(O)3)O)cc(c([o+1]2)1)c(O)cc(O)c1
M END
