Mol:FL3FADGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.7466 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7466 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0456 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3446 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3446 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0456 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0576 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0576 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 -0.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3765 -2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4729 -0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4729 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8712 0.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1730 -0.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4325 0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3890 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5579 -0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4019 -1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4455 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2765 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4974 0.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2195 -0.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7192 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9076 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9736 0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8010 0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9404 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0400 0.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1559 0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7192 2.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6116 1.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6155 -0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0456 -2.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8302 1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 2.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0627 -1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7039 -2.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3964 2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7646 2.8709 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
18 15 1 0 0 0 0
1 19 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
18 21 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 19 1 0 0 0 0
3 38 1 0 0 0 0
39 40 1 0 0 0 0
16 39 1 0 0 0 0
41 42 1 0 0 0 0
23 41 1 0 0 0 0
34 43 1 0 0 0 0
43 44 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 OCH3
M SBV 1 44 -0.3573 -0.8474
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 CH2OH
M SBV 2 46 -0.6607 0.3487
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 47
M SMT 3 ^ CH2OH
M SBV 3 47 0.2405 -1.3599
S SKP 5
ID FL3FADGS0015
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C5O)C(CO)OC(C5O)Oc(c4)cc(O1)c(c4O)C(C=C(c(c3)ccc(c(OC)3)OC(C(O)2)OC(C(C2O)O)CO)1)=O
M END
