Mol:FL5FFCGA0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.5650 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5650 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8640 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8640 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 -1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6543 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6543 2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8640 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3939 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9054 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7899 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2658 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 -2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5747 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1822 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6937 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6332 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0562 -0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4949 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0270 0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4546 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1033 -0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2266 -2.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 -3.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8119 -3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3840 0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2658 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 2.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6543 3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8640 2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 3.1777 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
16 43 1 0 0 0 0
44 45 1 0 0 0 0
6 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 OCH3
M SBV 1 49 0.0000 -0.7511
S SKP 5
ID FL5FFCGA0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES Oc(c1)c(O)cc(C(O5)=C(C(=O)c(c54)c(cc(O)c(OC)4)O)OC(O2)C(C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)O)c1
M END
