Mol:FL7AACGL0064
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
86 93 0 0 0 0 0 0 0 0999 V2000
-3.9013 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9013 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1926 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1926 0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.8795 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3581 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 2.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3581 1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6097 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 2.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1926 -1.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2414 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4925 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 -1.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7411 -0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4522 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9355 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2907 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 -1.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5154 -1.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 -0.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 2.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0777 -3.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3007 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1896 -2.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8673 -2.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5195 -2.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0777 -4.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6235 -4.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 -2.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3664 -3.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9876 -2.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7158 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8108 0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4932 0.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1769 0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4932 1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0434 1.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0434 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 3.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0434 4.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3287 3.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3287 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0434 5.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -3.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1459 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2244 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5890 -2.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5172 -2.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7255 -4.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2521 -3.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 -2.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -2.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7726 -3.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8422 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1598 -3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0258 -3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4385 -4.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2637 -4.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6763 -3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2637 -2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4385 -2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3526 -3.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9876 -2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5566 -1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3870 -1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3870 -1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8051 -0.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9631 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6463 -4.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5566 -5.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6143 -2.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5244 -2.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7468 4.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1097 5.2476 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 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
15 30 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
34 19 1 0 0 0 0
25 42 1 0 0 0 0
42 43 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
44 43 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
55 56 1 1 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
20 21 1 0 0 0 0
27 58 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
64 63 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 68 1 0 0 0 0
71 74 1 0 0 0 0
63 57 1 0 0 0 0
41 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
78 80 1 0 0 0 0
78 79 2 0 0 0 0
77 78 1 0 0 0 0
81 82 1 0 0 0 0
70 81 1 0 0 0 0
83 84 1 0 0 0 0
72 83 1 0 0 0 0
85 86 1 0 0 0 0
52 85 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 78 79 80
M SBL 1 1 87
M SMT 1 COOH
M SBV 1 87 0.0000 -0.7016
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 81 82
M SBL 2 1 89
M SMT 2 OCH3
M SBV 2 89 -0.3826 0.6627
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 83 84
M SBL 3 1 91
M SMT 3 OCH3
M SBV 3 91 -0.3506 -0.6072
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 85 86
M SBL 4 1 93
M SMT 4 ^ OCH3
M SBV 4 93 0.5819 -0.3360
S SKP 5
ID FL7AACGL0064
FORMULA C56H59O30
EXACTMASS 1211.3091155480001
AVERAGEMASS 1212.0496600000001
SMILES O(c(c1O)cc(C=CC(OCC(O2)C(O)C(C(OC(O8)C(C(O)C(C8)O)OC(=O)C=Cc(c7)cc(OC)c(c7OC)O)C(Oc(c6)c([o+1]c(c64)cc(cc4OC(C5O)OC(COC(=O)CC(=O)O)C(C5O)O)O)c(c3)cc(O)c(O)c3)2)O)=O)cc1)C
M END
