Mol:FL7AAIGL0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
68 74 0 0 0 0 0 0 0 0999 V2000
-2.1199 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 -0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6828 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6828 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 -0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 1.4226 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4724 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 0.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9370 1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9371 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 2.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8382 1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6079 2.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6202 -0.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1689 -1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2856 -2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8125 -2.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3802 -2.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 -2.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4106 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 -0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0867 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 -0.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3776 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8676 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1748 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7557 -0.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4235 -0.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0970 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3912 -1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 -2.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6081 -3.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9534 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4738 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7836 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6015 -0.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2055 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6775 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1743 -1.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2215 -2.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6084 -2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0197 -3.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8128 -2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 -3.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3319 -3.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5766 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 -3.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8206 -3.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9876 -4.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 3.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7750 4.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8029 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9612 -1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6695 0.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9612 0.9994 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 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 20 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 19 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
51 39 1 0 0 0 0
59 62 1 0 0 0 0
63 64 1 0 0 0 0
15 63 1 0 0 0 0
65 66 1 0 0 0 0
47 65 1 0 0 0 0
67 68 1 0 0 0 0
13 67 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 63 64
M SBL 1 1 70
M SMT 1 OCH3
M SBV 1 70 0.0000 -0.7676
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 65 66
M SBL 2 1 72
M SMT 2 ^ CH2OH
M SBV 2 72 0.5974 -0.5852
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 67 68
M SBL 3 1 74
M SMT 3 OCH3
M SBV 3 74 -0.7324 0.4229
S SKP 5
ID FL7AAIGL0023
FORMULA C44H51O24
EXACTMASS 963.27702756
AVERAGEMASS 963.86134
SMILES c(c6)(O)cc(OC(O7)C(O)C(O)C(C7CO)O)c(c56)cc(c([o+1]5)c(c4)cc(OC)c(O)c4OC)OC(O1)C(C(O)C(C1COC(O3)C(C(O)C(C3C)OC(=O)C=Cc(c2)cc(O)c(c2)O)O)O)O
M END
