Mol:FL7AACGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
-1.7944 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0799 0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0799 1.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3490 0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0634 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0634 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3490 1.9832 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7776 1.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5058 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 1.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5058 3.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7776 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5086 1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9620 3.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0799 -0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7835 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5058 4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 -3.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9280 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4208 -3.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 -3.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6611 -3.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 -3.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6203 -3.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1944 -4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0185 -3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6878 -2.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2346 -2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0986 -1.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1620 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8213 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6297 -2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7792 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1199 -3.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3114 -3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4792 -3.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3493 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 -1.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2935 -2.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7762 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1012 -0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2008 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6199 -2.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4791 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9685 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3584 -0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1401 -0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8474 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4249 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7253 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 -0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6635 -1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4792 -0.5205 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
15 21 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
28 22 1 0 0 0 0
26 32 1 0 0 0 0
22 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
44 20 1 0 0 0 0
46 52 1 0 0 0 0
52 32 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
54 59 1 0 0 0 0
55 60 1 0 0 0 0
56 61 1 0 0 0 0
53 49 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGA0008
FORMULA C39H43O22
EXACTMASS 863.2245980600001
AVERAGEMASS 863.74552
SMILES C(C(O)6)(O)C(OC(COC(c(c7)ccc(O)c7)=O)C(O)6)OCC(O2)C(O)C(C(C2Oc(c5)c([o+1]c(c45)cc(O)cc4O)c(c3)ccc(c(O)3)O)OC(O1)C(O)C(C(O)C1)O)O
M END
