Mol:FL3FACGS0070
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
1.4110 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1254 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1254 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 -0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8399 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5543 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5543 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8399 -0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3338 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0697 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8056 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8056 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0697 1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3338 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0697 1.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3978 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8399 -2.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 -2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5164 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1061 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9839 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 1.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 2.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4380 1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0361 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6515 1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0361 2.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1958 -0.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0043 -0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0512 -1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1702 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7097 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9122 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7933 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2539 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6855 0.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9336 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3978 -1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2362 -2.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6547 -2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 -1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 -2.4742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -2.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2069 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4025 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3040 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4189 -0.9158 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
15 17 1 0 0 0 0
14 18 1 0 0 0 0
7 19 2 0 0 0 0
1 20 1 0 0 0 0
5 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
21 25 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
23 36 1 0 0 0 0
24 37 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
22 44 1 0 0 0 0
44 41 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
38 47 1 0 0 0 0
39 48 1 0 0 0 0
40 49 1 0 0 0 0
55 50 1 1 0 0 0
54 50 1 1 0 0 0
53 55 1 1 0 0 0
50 51 1 0 0 0 0
55 52 1 0 0 0 0
56 53 1 0 0 0 0
54 56 1 0 0 0 0
53 37 1 0 0 0 0
50 57 1 0 0 0 0
57 58 1 0 0 0 0
S SKP 5
ID FL3FACGS0070
FORMULA C35H40O23
EXACTMASS 828.196037586
AVERAGEMASS 828.6783
SMILES C(C(OC(C6O)OCC6(O)CO)1)(C(OC(O5)C(O)C(C(O)C(CO)5)O)C(OC1Oc(c4)cc(c(c34)C(=O)C=C(O3)c(c2)ccc(O)c2O)O)COC(CC(O)=O)=O)O
M END
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