Mol:FL7AAIGL0036
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
-0.5085 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5085 0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2060 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2060 1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3494 0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3494 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 1.9606 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.1259 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 3.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1259 2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1951 3.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0885 1.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2060 -0.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2199 1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 3.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3986 4.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9369 2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9996 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1427 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3509 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6595 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8349 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3456 0.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6101 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2910 -0.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8640 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0586 -1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3262 -2.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1315 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9163 -2.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4330 -1.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5644 -1.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1937 -1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7102 -2.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9268 -3.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6268 -2.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2291 -2.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -3.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 -2.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9932 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 -2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0682 -2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4807 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0682 -4.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 -4.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3045 -3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9725 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5599 -3.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 -3.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9681 -3.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1791 -3.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5409 -2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3082 -2.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7831 -3.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3166 -3.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 -4.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9486 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6316 -2.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9627 -1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6832 -1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6974 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9901 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0043 1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7257 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4330 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4188 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7399 2.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2980 1.4830 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
8 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
30 32 1 0 0 0 0
29 33 1 0 0 0 0
28 34 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
35 40 1 0 0 0 0
36 42 1 0 0 0 0
38 43 1 0 0 0 0
39 44 1 0 0 0 0
26 24 1 0 0 0 0
45 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
45 37 1 0 0 0 0
57 58 1 1 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 57 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
56 60 1 0 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
77 72 1 0 0 0 0
75 78 1 0 0 0 0
74 79 1 0 0 0 0
64 68 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0036
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES C(c(c8)ccc(O)c8O)=CC(=O)OCC(C(O)7)OC(C(O)C7O)Oc(c1)ccc(C=CC(=O)OC(C(C)2)C(C(C(OCC(O3)C(C(C(O)C3Oc(c6)c([o+1]c(c65)cc(O)cc5O)c(c4)cc(OC)c(O)c(OC)4)O)O)O2)O)O)c1
M END
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