Mol:FL5FAHGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.3588 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3588 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 -1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1461 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8606 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8606 2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1461 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 -1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1464 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6579 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5973 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5424 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0595 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0915 -2.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2653 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3265 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8381 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 -0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7225 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2112 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2718 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2050 -0.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8043 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9491 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3927 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8338 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0602 -3.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0054 -3.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5424 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6340 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0595 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 2.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1436 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8606 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 4.0442 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
14 43 1 0 0 0 0
44 45 1 0 0 0 0
16 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 -0.7024
S SKP 5
ID FL5FAHGL0002
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES C(O)(C(OC(=C(c(c5)cc(OC)c(c5O)O)3)C(=O)c(c(O)4)c(cc(c4)O)O3)1)C(C(C(COC(O2)C(C(C(O)C(C)2)O)O)O1)O)O
M END
