Mol:FL5FAIGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-3.4824 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4824 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7814 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7814 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3794 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3794 1.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3794 -1.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0223 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0223 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7814 -1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 -2.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7197 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6591 -3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6042 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1832 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1533 -2.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3884 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9000 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8394 -0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7843 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2730 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3336 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1637 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8967 0.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0521 -0.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5989 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8955 -1.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -3.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9848 -3.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6056 -4.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 -0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1832 1.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1689 2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3349 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 2.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2929 4.1065 0.0000 C 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
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 0 0 0 0
14 43 1 0 0 0 0
45 46 1 0 0 0 0
16 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 OCH3
M SBV 1 48 -0.6235 0.3600
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 45 46
M SBL 2 1 50
M SMT 2 OCH3
M SBV 2 50 0.0000 -0.6813
S SKP 5
ID FL5FAIGL0002
FORMULA C29H34O17
EXACTMASS 654.179599662
AVERAGEMASS 654.57006
SMILES c(C(O2)=C(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)O)C(=O)c(c(O)3)c2cc(c3)O)(c1)cc(c(c1OC)O)OC
M END
