Mol:FL5FACGS0113
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
62 68 0 0 0 0 0 0 0 0999 V2000
4.6867 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9722 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9722 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 2.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4011 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4011 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2578 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2578 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1894 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8567 -0.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9930 2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 3.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7578 3.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5826 3.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9930 2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5783 2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7534 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3431 2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5181 2.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1078 3.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1034 2.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0381 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6254 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8272 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0337 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4463 1.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2447 1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5033 2.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6437 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2996 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2548 0.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7031 -2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4705 -2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9661 -1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7288 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 -1.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4657 -1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8844 -2.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4511 -2.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 -2.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2043 -2.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5250 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2635 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4767 -2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0736 -3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8122 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0253 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6274 -1.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3134 -2.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -3.5479 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
31 38 1 0 0 0 0
35 18 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
44 48 1 0 0 0 0
42 49 1 0 0 0 0
43 50 1 0 0 0 0
47 51 1 0 0 0 0
51 52 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
54 59 1 0 0 0 0
53 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
52 57 1 0 0 0 0
45 19 1 0 0 0 0
S SKP 5
ID FL5FACGS0113
FORMULA C40H44O22
EXACTMASS 876.232423092
AVERAGEMASS 876.7641600000001
SMILES c(c7)ccc(c7)C(=O)OCC(C6O)OC(C(C6O)O)Oc(c1)cc(c(C(=O)3)c1OC(=C3OC(C(O)4)OC(COC(C(O)5)OC(C(O)C(O)5)C)C(O)C4O)c(c2)cc(c(c2)O)O)O
M END
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