Mol:FL5FACGL0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-4.5918 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5918 -0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8906 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 -0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8906 1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4882 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 -0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4882 1.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4868 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0860 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3713 0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3434 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3434 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3713 2.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0860 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2928 1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0824 -0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8906 -1.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5387 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1155 -2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 -2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1712 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3574 -2.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2473 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1582 -0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5813 -0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2324 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 -0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6605 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7159 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3096 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8902 -0.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0795 -1.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4123 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3974 -3.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -3.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1425 2.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3713 3.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 3.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8049 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6967 2.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6420 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1307 3.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1910 2.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3382 2.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7031 3.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7754 2.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3922 2.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 1.8609 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
16 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
49 51 1 0 0 0 0
48 52 1 0 0 0 0
45 42 1 0 0 0 0
53 54 1 0 0 0 0
47 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 -0.7501 -0.1560
S SKP 5
ID FL5FACGL0045
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES C(C1O)(O)C(OCC(O2)C(C(O)C(C2OC(C(=O)4)=C(c(c5)cc(c(OC(O6)C(O)C(C(O)C6CO)O)c5)O)Oc(c43)cc(cc(O)3)O)O)O)OC(C1O)C
M END
