Mol:FLIA1ACS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-0.9975 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9975 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -2.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9163 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4184 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9163 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7357 2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6611 1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7284 -2.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1729 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6963 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4293 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7284 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2317 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3675 0.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
6 14 1 0 0 0 0
21 23 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
8 29 1 0 0 0 0
26 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 23 1 0 0 0 0
S SKP 5
ID FLIA1ACS0005
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES c(c5)(c(c(c(O)c5)C(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C3O)1)C(C(c(c2)ccc(O)c2)=CO1)=O
M END
