Mol:FL1C1AGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-4.1497 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1497 -1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4352 -1.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7207 -1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7207 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4352 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2941 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5830 -1.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 -2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2453 -0.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4352 -2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8640 -0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4302 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1799 0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7331 1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6777 1.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9281 2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3750 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7220 2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 2.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5555 0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 1.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2483 1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8640 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8297 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2483 0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5324 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2483 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6053 0.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 13 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 17 1 0 0 0 0
34 29 1 1 0 0 0
33 29 1 1 0 0 0
32 34 1 1 0 0 0
29 30 1 0 0 0 0
34 31 1 0 0 0 0
35 32 1 0 0 0 0
33 35 1 0 0 0 0
28 33 1 0 0 0 0
36 37 1 0 0 0 0
25 36 1 0 0 0 0
38 39 1 0 0 0 0
34 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 40
M SMT 1 ^ CH2OH
M SBV 1 40 0.8426 -0.2258
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 38 39
M SBL 2 1 42
M SMT 2 CH2OH
M SBV 2 42 0.0000 0.4279
S SKP 5
ID FL1C1AGS0004
FORMULA C26H30O13
EXACTMASS 550.168641046
AVERAGEMASS 550.5086
SMILES c(c4)(ccc(c4)C=CC(c(c3)c(cc(O)c3)O)=O)OC(C(OC(O2)C(O)C(O)(C2)CO)1)OC(C(O)C(O)1)CO
M END
