Mol:FL3FAADS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-0.6039 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6039 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8133 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8133 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 -1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 -1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0965 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5899 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5899 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0965 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3362 2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5470 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8902 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2334 -0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3401 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9707 -0.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6800 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3906 0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7370 -1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4656 1.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7541 -1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8228 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1660 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5092 -1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6159 -1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2465 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9558 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3279 -1.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8686 -2.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0796 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4326 1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7758 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1191 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8563 1.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9731 0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4153 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6855 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3362 -0.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1047 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3160 2.0238 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 28 1 0 0 0 0
48 49 1 0 0 0 0
35 48 1 0 0 0 0
50 51 1 0 0 0 0
44 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 ^ CH2OH
M SBV 1 54 0.4279 -0.4279
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 56
M SMT 2 ^ CH2OH
M SBV 2 56 0.5391 -0.5391
S SKP 5
ID FL3FAADS0013
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES C(C1O)(OC(Oc(c(C(O6)C(C(O)C(O)C6)OC(O5)C(O)C(C(O)C5CO)O)2)cc(O3)c(C(C=C3c(c4)ccc(c4)O)=O)c2O)C(C1O)O)CO
M END
