Mol:FL3FAADS0035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 54 0 0 0 0 0 0 0 0999 V2000
2.0665 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 1.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6375 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6375 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0665 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7912 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7912 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 -1.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -1.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4587 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8751 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1582 -0.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 0.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6335 -0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 -0.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6304 -0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8838 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3347 -1.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8481 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5626 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2770 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2770 1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5626 2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8481 1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8922 2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3811 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0806 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2555 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8390 1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5560 0.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3957 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8922 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5723 -1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9889 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2721 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4473 -1.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0307 -1.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7475 -1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5723 -1.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6325 -2.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8230 -2.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 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
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
35 11 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 24 1 0 0 0 0
S SKP 5
ID FL3FAADS0035
FORMULA C31H36O18
EXACTMASS 696.190164348
AVERAGEMASS 696.60674
SMILES C(C(O)6)(O)COC(C6O)Oc(c5)c(c(O)c(c45)C(=O)C=C(O4)c(c3)ccc(c3)O)C(C(OC(C2O)OCC(C2O)O)1)OC(CO)C(O)C(O)1
M END
