Mol:FL3FADGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.6822 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6822 -1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 -1.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4239 -1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4239 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -1.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1659 -1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1659 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 -2.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 -0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 -0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 -2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4798 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3099 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4135 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6945 -3.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 -2.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6597 -2.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 -1.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4436 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9480 -2.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3604 -3.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9803 -3.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8631 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9266 0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9756 0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7329 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6693 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6204 0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 1.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2807 0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9354 -0.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3727 -1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9480 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 3.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0854 -1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6608 -0.8037 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
19 15 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
30 31 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 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
19 31 1 0 0 0 0
39 40 1 0 0 0 0
33 39 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
43 44 1 0 0 0 0
26 43 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 -0.6399 0.4101
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.3205 -0.7602
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 ^ CH2OH
M SBV 3 48 0.6418 -0.4943
S SKP 5
ID FL3FADGS0013
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(C(CO)1)(O)C(C(O)C(Oc(c32)cc(cc2OC(c(c5)ccc(c(OC)5)OC(C(O)4)OC(C(C4O)O)CO)=CC(=O)3)O)O1)O
M END
