Mol:FL5FACGS0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.8668 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8668 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9913 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9913 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 0.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -2.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8910 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3474 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3474 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8910 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 -2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1268 1.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7148 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7203 0.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6823 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2959 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0390 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7864 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1729 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4298 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1723 -1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1536 -0.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2220 0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0587 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 -0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8776 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8132 0.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4000 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4977 -0.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9434 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1729 0.9385 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
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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 20 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
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 21 1 0 0 0 0
41 42 1 0 0 0 0
37 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ CH2OH
M SBV 1 46 0.4651 -0.5308
S SKP 5
ID FL5FACGS0030
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(O1)c(c4O)C(C(OC(C3O)OCC(C3O)O)=C1c(c2)ccc(O)c2O)=O
M END
