Mol:FL5FFCGL0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-3.4928 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4928 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6887 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6887 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 0.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 -1.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -1.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3011 -2.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8125 -3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7520 -2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 -3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1936 -2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2462 -2.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 -2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3987 -0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9103 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2834 -0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -0.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9590 0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0547 -0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6093 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0723 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9880 -2.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 -3.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 -3.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4768 -0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1936 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 2.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 1.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 2.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2826 3.8525 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 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 0 0 0 0
6 43 1 0 0 0 0
45 46 1 0 0 0 0
16 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 OCH3
M SBV 1 48 0.0000 -0.6700
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 45 46
M SBL 2 1 50
M SMT 2 OCH3
M SBV 2 50 0.0000 -0.6900
S SKP 5
ID FL5FFCGL0012
FORMULA C29H34O17
EXACTMASS 654.179599662
AVERAGEMASS 654.57006
SMILES C(OC(C5O)OC(C(C5O)O)COC(O4)C(C(C(O)C(C)4)O)O)(C2=O)=C(Oc(c3OC)c(c(cc(O)3)O)2)c(c1)ccc(c(OC)1)O
M END
