Mol:FL5FAAGA0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.5467 2.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5467 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8456 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1445 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1445 2.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8456 3.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 2.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 3.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 0.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0414 3.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 2.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 3.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0414 4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8456 0.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2475 3.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1020 4.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0585 1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3069 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0744 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3069 -0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1934 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3417 1.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6766 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 -1.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1804 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5899 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1237 -2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5468 -3.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7332 -3.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 -3.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4915 -2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3051 -3.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9036 -3.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -3.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2650 -4.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 -4.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1315 1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7897 1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6593 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8557 2.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1767 1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2029 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6072 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2475 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5870 2.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8592 3.9355 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
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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 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
25 31 1 0 0 0 0
31 32 1 0 0 0 0
23 21 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
44 49 1 0 0 0 0
45 50 1 0 0 0 0
28 43 1 0 0 0 0
46 51 1 0 0 0 0
52 53 1 0 0 0 0
47 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.7314 -0.1589
S SKP 5
ID FL5FAAGA0017
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O
M END
