Mol:FL3FADGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.2349 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2349 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 -0.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8682 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5693 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5693 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8682 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1351 -2.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2701 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9846 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6991 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6991 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9846 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2701 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 -2.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6358 0.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9344 -0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8785 -0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0771 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8097 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 -0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6284 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6358 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0363 -1.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 -1.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9453 2.9718 0.0000 C 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 20 1 0 0 0 0
30 31 1 0 0 0 0
16 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 OCH3
M SBV 1 34 -0.3571 -0.8474
S SKP 5
ID FL3FADGS0002
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1)(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)c1)OC
M END
