Mol:FL7AACGL0086
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
-2.1835 2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7577 2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7577 2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6682 2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6682 2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 3.2892 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3833 3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 4.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 4.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3833 4.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8986 3.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3833 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5942 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0966 -0.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 -1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1967 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9528 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7041 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 -1.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 5.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5269 4.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6397 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2200 0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9712 -0.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1771 -0.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3218 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6911 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8176 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1858 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 -1.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2369 -2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2369 -2.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 -3.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 -4.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2369 -4.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9505 -4.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9505 -3.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2369 -5.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 -4.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 -4.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 0.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3806 1.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9671 1.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5039 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8086 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8944 1.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9854 0.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0001 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3094 1.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3476 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0096 2.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3806 -4.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0918 -4.1128 0.0000 C 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
1 6 1 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
5 10 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
11 16 1 0 0 0 0
1 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 1 0 0 0
21 27 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
23 27 1 0 0 0 0
24 26 1 0 0 0 0
22 25 1 0 0 0 0
27 26 1 1 0 0 0
25 28 1 0 0 0 0
18 20 1 0 0 0 0
21 29 1 0 0 0 0
15 30 1 0 0 0 0
14 31 1 0 0 0 0
32 33 1 0 0 0 0
33 39 1 1 0 0 0
34 40 1 1 0 0 0
34 35 1 0 0 0 0
32 35 1 0 0 0 0
36 40 1 0 0 0 0
37 39 1 0 0 0 0
33 38 1 0 0 0 0
40 39 1 1 0 0 0
24 34 1 0 0 0 0
36 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
45 50 1 0 0 0 0
48 51 1 0 0 0 0
49 52 1 0 0 0 0
47 53 1 0 0 0 0
3 54 1 0 0 0 0
56 57 1 0 0 0 0
57 63 1 1 0 0 0
58 64 1 1 0 0 0
58 59 1 0 0 0 0
56 59 1 0 0 0 0
55 58 1 0 0 0 0
60 64 1 0 0 0 0
61 63 1 0 0 0 0
59 62 1 0 0 0 0
64 63 1 1 0 0 0
62 65 1 0 0 0 0
54 57 1 0 0 0 0
52 66 1 0 0 0 0
53 67 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0086
FORMULA C43H49O24
EXACTMASS 949.261377496
AVERAGEMASS 949.83476
SMILES C(OC(C(Oc(c7)c([o+1]c(c75)cc(O)cc(OC(O6)C(C(C(O)C6CO)O)O)5)c(c4)cc(O)c(c4)O)3)C(C(O)C(CO)O3)O)(O1)C(OC(=O)C=Cc(c2)cc(c(O)c2OC)OC)C(C(C1)O)O
M END
</pre>
