Mol:FL5FACGA0043
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-3.2482 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2482 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 -1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5093 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9657 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9657 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5093 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 -1.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7450 2.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9104 1.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 3.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 -0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4061 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6768 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9082 2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6768 3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4061 3.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1747 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0291 4.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 4.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3704 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4446 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 -3.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -3.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7043 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8932 -1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 -3.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 -4.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 -4.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -3.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 -3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 -2.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2350 -3.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2862 -2.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 -2.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8197 -3.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1000 -4.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 -4.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 -2.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 -3.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8900 -1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6368 -2.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6368 -3.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3398 -3.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0428 -3.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0428 -2.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3398 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -3.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1414 -3.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7118 3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6646 2.7837 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
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
22 8 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
20 24 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
33 22 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
46 49 1 0 0 0 0
41 50 1 0 0 0 0
42 51 1 0 0 0 0
51 40 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
39 52 1 0 0 0 0
37 63 1 0 0 0 0
64 65 1 0 0 0 0
28 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ CH2OH
M SBV 1 71 0.5371 -0.5471
S SKP 5
ID FL5FACGA0043
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c7O)cc(cc7)C=CC(=O)OC(C(COC(O6)C(C(O)C(C6C)O)O)1)C(O)C(C(OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(C(O)5)OC(CO)C(O)C(O)5)c(c2)ccc(O)c2O)O1)O
M END
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