Mol:FL5FACGL0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-3.0796 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0796 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3651 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6506 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6506 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3651 0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9362 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2217 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2217 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9362 0.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9362 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4925 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9488 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9488 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4925 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6907 0.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6768 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2845 -0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3651 -1.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 2.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7301 -3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 -3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4237 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3512 -2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 -4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 -3.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 -1.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 -2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0354 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7527 -2.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 -3.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9470 -3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2297 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 -2.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3106 -3.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8231 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4558 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4975 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3718 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7221 -1.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4229 -1.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7732 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4229 -0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7221 -0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4725 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2139 1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7160 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 3.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2139 3.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9826 2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9977 4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5601 3.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1769 1.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9860 -3.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1422 -3.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5197 3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4725 2.3809 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
16 22 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
26 20 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
37 38 1 0 0 0 0
36 39 1 0 0 0 0
33 31 1 0 0 0 0
40 41 1 0 0 0 0
41 32 1 0 0 0 0
40 42 2 0 0 0 0
40 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
53 52 1 1 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 1 0 0 0
57 52 1 1 0 0 0
56 58 1 0 0 0 0
55 59 1 0 0 0 0
54 60 1 0 0 0 0
18 53 1 0 0 0 0
61 62 1 0 0 0 0
28 61 1 0 0 0 0
63 64 1 0 0 0 0
57 63 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 61 62
M SBL 1 1 68
M SMT 1 ^ CH2OH
M SBV 1 68 0.6347 0.4198
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 63 64
M SBL 2 1 70
M SMT 2 ^ CH2OH
M SBV 2 70 0.5371 -0.4852
S SKP 5
ID FL5FACGL0070
FORMULA C41H44O23
EXACTMASS 904.227337714
AVERAGEMASS 904.7742599999999
SMILES O=C(C=Cc(c7)ccc(c7)O)OC(C1OC(C2O)C(OC(C4=O)=C(Oc(c5)c4c(cc(OC(C(O)6)OC(CO)C(O)C6O)5)O)c(c3)ccc(O)c3O)OC(CO)C(O)2)C(C(CO1)O)O
M END
