Mol:FL5FAAGA0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.1748 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1748 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4604 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4604 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 2.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 -0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3972 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3972 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4604 -0.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8890 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5816 3.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1249 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9317 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9317 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1249 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 -1.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 0.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8649 0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1467 -2.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7158 -2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3912 1.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2247 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1423 -3.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 -0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8890 -0.8203 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
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
27 8 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 31 1 0 0 0 0
32 36 1 0 0 0 0
28 31 1 0 0 0 0
33 37 1 0 0 0 0
38 39 1 0 0 0 0
21 38 1 0 0 0 0
40 41 1 0 0 0 0
33 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 -0.0998 0.8971
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 0.0000 0.6191
S SKP 5
ID FL5FAAGA0003
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(O2)(c(C(C(OC(O5)C(C(O)C(C(CO)5)O)OC(C(O)4)OCC4(O)CO)=C2c(c3)ccc(c3)O)=O)1)cc(O)cc1O
M END
