Mol:FL2FA9GS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.1129 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1129 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4588 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1868 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1868 3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4588 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8271 1.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 -0.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5620 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9795 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3160 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0279 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6016 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 0.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5950 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5164 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0145 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0567 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2506 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5288 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4603 -1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 -2.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6868 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9150 2.5646 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
20 25 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
29 34 1 1 0 0 0
28 30 1 0 0 0 0
32 35 1 0 0 0 0
33 36 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
42 43 1 0 0 0 0
22 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.6457 -0.4820
S SKP 5
ID FL2FA9GS0004
FORMULA C29H34O14
EXACTMASS 606.194855796
AVERAGEMASS 606.57186
SMILES c(c3)(OC(O4)C(OC(C5OC(C)=O)OC(C)C(O)C(O)5)C(O)C(O)C(CO)4)cc(O1)c(c(O)3)C(CC(c(c2)cccc2)1)=O
M END
