Mol:FL2FAAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-4.1194 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1194 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8338 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6373 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 -2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2220 1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8884 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2330 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8338 1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4577 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 -0.0036 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
30 31 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.5693 0.0000
S SKP 5
ID FL2FAAGS0008
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
