Editor at 00:00, 14 March 2009

2009-03-14T00:00:00Z

Editor at 00:00, 7 October 2008

2008-10-07T00:00:00Z

New page

<pre>

Copyright: ARM project http://www.metabolome.jp/
105115 0 0 0 0 0 0 0 0999 V2000
3.0522 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0522 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6952 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3382 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3382 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6952 3.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4091 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7662 2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1231 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1231 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7662 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4091 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1630 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1630 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7652 -0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9365 1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1700 0.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8789 3.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 -0.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4418 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1246 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3105 -0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6279 -0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7293 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2643 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0407 -2.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5566 -2.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0541 -2.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7237 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9159 -0.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2553 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8945 -2.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8867 -2.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2399 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -4.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8713 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 -4.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5258 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8635 -5.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8007 -3.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3556 -3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 -3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 -3.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4919 -3.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 -4.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5448 -3.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 -3.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3934 -1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0130 -2.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4443 -2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0379 -1.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3308 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 -2.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2223 1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1609 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3376 0.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 1.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7904 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8360 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 1.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2347 2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9964 2.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 3.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9702 3.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3569 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0993 4.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4546 3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0677 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4855 5.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6411 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0349 -0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3140 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6027 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2088 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6213 -1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7268 -1.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4590 -0.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2348 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7635 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9743 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3275 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5850 -2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3741 -1.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0208 -2.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4846 -3.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5681 -3.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5258 -2.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3631 -2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0193 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4258 -0.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
32 33 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 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
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 31 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 29 1 0 0 0 0
25 19 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 1 0 0 0
66 65 1 1 0 0 0
67 66 1 1 0 0 0
67 68 1 0 0 0 0
68 63 1 0 0 0 0
66 69 1 0 0 0 0
65 70 1 0 0 0 0
64 71 1 0 0 0 0
63 72 1 0 0 0 0
67 18 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 2 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
82 77 1 0 0 0 0
80 83 1 0 0 0 0
71 73 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 1 0 0 0
87 86 1 1 0 0 0
88 87 1 1 0 0 0
88 89 1 0 0 0 0
89 84 1 0 0 0 0
87 90 1 0 0 0 0
86 91 1 0 0 0 0
85 92 1 0 0 0 0
84 93 1 0 0 0 0
88 70 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 1 0 0 0
97 96 1 1 0 0 0
98 97 1 1 0 0 0
98 99 1 0 0 0 0
99 94 1 0 0 0 0
97100 1 0 0 0 0
96101 1 0 0 0 0
95102 1 0 0 0 0
94103 1 0 0 0 0
98 91 1 0 0 0 0
104105 1 0 0 0 0
59104 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 104 105
M SBL 1 1 115
M SMT 1 ^ CH2OH
M SBV 1 115 0.3114 -1.5271
S SKP 5
ID FL5FAAGS0139
FORMULA C69H82O36
EXACTMASS 1486.458579016
AVERAGEMASS 1487.36778
SMILES OC(C%11O)C(C(OC%11CO)OCC(C(O)8)OC(C(OC(=O)C=Cc(c%10)ccc(c%10)O)C(OC(O9)C(O)C(O)C(O)C9C)8)OC(C7=O)=C(Oc(c27)cc(OC(O3)C(C(OC(O6)C(C(C(C6C)O)OC(O5)C(C(C(O)C(C)5)O)O)O)C(OC(=O)C=Cc(c4)ccc(O)c4)C3C)O)cc2O)c(c1)ccc(O)c1)O
M END
</pre>

Mol:FL5FAAGS0139 - Revision history

Editor at 00:00, 14 March 2009

Editor at 00:00, 7 October 2008