Mol:FL5FAAGS0087
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
1.7297 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7297 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4442 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1586 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1586 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4442 2.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0152 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4137 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4137 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0152 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 -0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5571 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6216 -0.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7594 2.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8638 0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4513 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2446 0.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0426 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4552 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6619 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9383 0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0743 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4552 1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7041 0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9516 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9417 -1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7397 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1523 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3590 -1.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8524 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5939 -2.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3252 -2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7397 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2209 0.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6120 0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 -0.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2209 1.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6120 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 0.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5848 1.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1523 0.0544 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 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
37 32 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
19 23 1 0 0 0 0
49 43 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 1 0 0 0
48 44 1 0 0 0 0
49 45 1 0 0 0 0
50 47 1 0 0 0 0
48 50 1 0 0 0 0
47 18 1 0 0 0 0
44 51 1 0 0 0 0
43 46 1 0 0 0 0
S SKP 5
ID FL5FAAGS0087
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(C1OC(=C(c(c6)ccc(c6)O)3)C(=O)c(c(O)4)c(cc(OC(C(O)5)OC(CO)C5O)c4)O3)C(COC(O2)C(C(C(O)C2C)O)O)C(O)C(C(O)1)O
M END
