Mol:FL5FCDGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
2.1427 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 3.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5717 3.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 3.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5717 1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3371 -3.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4762 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 -2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6949 -2.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -3.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6141 -2.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 -4.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -4.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7116 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3590 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5380 -0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2415 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 -1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 -2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -1.3525 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
18 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 19 1 0 0 0 0
28 44 1 0 0 0 0
S SKP 5
ID FL5FCDGS0003
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(OC)(c5)cc(c(c5O)2)OC(=C(OC(C(OC(C4O)OCC(C(O)4)O)3)OC(C(O)C(O)3)CO)C2=O)c(c1)ccc(O)c1OC
M END
