Mol:FL5FADGL0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.3238 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3238 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8947 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8947 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 0.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1622 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8905 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8905 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1622 2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 -1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5503 2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1773 1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7237 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3531 -2.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 -3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1333 -3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 -3.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7544 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5098 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0611 -2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5711 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7709 -2.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 -1.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1771 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7442 4.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2909 -4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9879 -4.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6474 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1773 -0.0937 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 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
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
29 31 1 0 0 0 0
40 41 1 0 0 0 0
16 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 1 0 0 0 0
44 45 1 0 0 0 0
35 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 OCH3
M SBV 1 45 -0.0149 -0.6357
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.0499 0.8927
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 CH2OH
M SBV 3 49 -0.6322 -0.4913
S SKP 5
ID FL5FADGL0008
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES C(O)C(O1)C(O)C(OC(C5O)OC(C(C(O)5)O)CO)C(O)C(OC(=C2c(c4)ccc(c4OC)O)C(c(c3O)c(cc(O)c3)O2)=O)1
M END
