Mol:FL5FAAGL0103
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
-3.0520 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0520 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6330 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6330 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2140 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2140 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 3.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 -0.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 3.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8996 1.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7806 0.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5759 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8516 2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0814 3.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8516 4.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5759 4.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3462 3.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4870 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9146 4.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5474 2.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4876 3.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1575 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7958 3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4816 3.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8480 4.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3126 3.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 2.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7610 3.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7420 3.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4610 0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8274 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2921 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4182 -0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6165 0.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7998 0.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6764 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2407 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2407 -2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7584 -4.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5260 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5260 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7584 -2.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 -4.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8147 4.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7610 3.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2771 1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7690 -4.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6803 -5.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4440 4.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5358 5.4045 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
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 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
19 31 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
41 46 1 0 0 0 0
42 47 1 0 0 0 0
43 48 1 0 0 0 0
40 21 1 0 0 0 0
46 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 2 0 0 0 0
52 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 53 1 0 0 0 0
56 59 1 0 0 0 0
60 61 1 0 0 0 0
27 60 1 0 0 0 0
62 63 1 0 0 0 0
44 62 1 0 0 0 0
64 65 1 0 0 0 0
55 64 1 0 0 0 0
66 67 1 0 0 0 0
35 66 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 60 61
M SBL 1 1 67
M SMT 1 ^ CH2OH
M SBV 1 67 0.4685 -0.3597
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 62 63
M SBL 2 1 69
M SMT 2 CH2OH
M SBV 2 69 -0.4497 -0.3074
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 64 65
M SBL 3 1 71
M SMT 3 OCH3
M SBV 3 71 -0.0106 0.6565
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 66 67
M SBL 4 1 73
M SMT 4 CH2OH
M SBV 4 73 -0.5960 -0.3060
S SKP 5
ID FL5FAAGL0103
FORMULA C43H48O24
EXACTMASS 948.253552464
AVERAGEMASS 948.82682
SMILES C(C(O)6)(OC(=O)C=Cc(c7)ccc(O)c7OC)C(OC(CO)C6O)OC(=C3c(c4)ccc(OC(C(O)5)OC(CO)C(O)C(O)5)c4)C(c(c2O)c(O3)cc(c2)OC(O1)C(C(O)C(C1CO)O)O)=O
M END
