Mol:FL7AAGGL0050
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-1.4722 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7578 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0433 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0433 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7578 4.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6712 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6712 4.3121 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.1622 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1622 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 5.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0522 4.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7578 1.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 6.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2561 3.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2136 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8873 0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7585 1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0847 1.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3664 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8569 0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7765 -0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1982 1.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8092 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0695 1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4920 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0040 2.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7636 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1882 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8682 2.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2561 1.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8177 1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4949 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0822 -2.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8758 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6740 -2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2933 -1.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 -2.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4010 -2.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2808 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5545 -2.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1254 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7180 -3.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9493 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3506 -3.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 -4.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3467 -4.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 -5.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1106 -5.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6967 -4.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -4.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6999 -6.3166 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 20 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
45 53 1 0 0 0 0
49 33 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 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 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
54 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0050
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O
M END
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