Mol:FL3FAACS0038
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.3842 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3842 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0447 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0447 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -2.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 -0.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4371 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2149 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 2.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2149 2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 0.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 -2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0202 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0202 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5254 0.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8655 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3888 -0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7023 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1219 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5254 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1320 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9182 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2014 2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8220 1.9749 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 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 23 1 0 0 0 0
23 9 1 0 0 0 0
26 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 21 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.4713 -0.4713
S SKP 5
ID FL3FAACS0038
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1
M END
