Mol:FLIF1LGF0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 57 0 0 0 0 0 0 0 0999 V2000
-2.1973 1.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4350 1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1105 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4259 0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9920 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4051 1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0744 1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5942 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0340 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3801 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0564 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3849 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3849 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1322 -1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8795 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8795 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1322 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0562 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -1.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1322 -2.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6262 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6262 -2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3407 -3.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0550 -2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0550 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3407 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8049 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6750 0.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 -0.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6267 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8775 2.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0277 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6385 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8473 3.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6970 3.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0863 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0443 3.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2467 4.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9707 2.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9812 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2515 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7487 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0443 -2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5390 2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7763 2.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1895 -3.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1153 -4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 4 1 1 0 0 0
4 5 1 1 0 0 0
6 5 1 1 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
3 9 1 0 0 0 0
4 10 1 0 0 0 0
5 11 1 0 0 0 0
6 1 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 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
12 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
2 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 12 1 0 0 0 0
28 33 1 0 0 0 0
33 34 1 0 0 0 0
34 18 1 0 0 0 0
31 2 1 0 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 1 0 0 0
40 35 1 1 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
37 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 1 0 0 0 0
45 8 1 0 0 0 0
46 47 1 0 0 0 0
26 46 1 0 0 0 0
48 49 1 0 0 0 0
2 48 1 0 0 0 0
50 51 1 0 0 0 0
25 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 46 47
M SBL 1 1 53
M SMT 1 OCH3
M SBV 1 53 -0.6937 0.2927
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 48 49
M SBL 2 1 55
M SMT 2 ^ CH2OH
M SBV 2 55 0.1040 -0.9814
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 50 51
M SBL 3 1 57
M SMT 3 ^ OCH3
M SBV 3 57 0.1512 0.6445
S SKP 5
ID FLIF1LGF0005
FORMULA C34H42O17
EXACTMASS 722.242199918
AVERAGEMASS 722.6870799999999
SMILES O(C75)c(c(C(=O)C(c(c(OC7)6)cc(c(OC)c6)OC)5)1)c(C2)c(OC(C(C)(CO)OC(C(O)3)OC(COC(O4)C(O)C(O)C(O)C4)C(C3O)O)2)cc1
M END
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