Mol:FL5FEAGL0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.1825 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1825 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4815 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2195 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2195 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4815 1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9205 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6216 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6216 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9205 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9205 -0.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7513 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7513 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8833 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4815 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2559 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8329 -2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6463 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4648 -2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8879 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0744 -1.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5344 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4147 0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9917 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8051 -0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6236 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0468 0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2332 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7139 0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7694 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3177 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 -0.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2644 -1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1559 -2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4648 -2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5501 2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7767 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2387 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4640 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7358 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2596 0.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0510 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4671 -0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0567 -0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9568 -0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0269 -0.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6555 0.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8879 0.7980 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 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
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
52 2 1 0 0 0 0
53 54 1 0 0 0 0
48 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 ^ CH2OH
M SBV 1 59 0.6045 -0.5832
S SKP 5
ID FL5FEAGL0003
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES C(C6O)(O)C(OC(C6O)C)OCC(O1)C(C(O)C(C1OC(C(=O)4)=C(c(c5)ccc(c5)O)Oc(c43)cc(O)c(c(O)3)OC(O2)C(O)C(O)C(O)C2CO)O)O
M END
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