Mol:FL5FECGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.4928 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4928 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6887 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6887 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2392 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6901 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6351 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1936 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1843 -1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4571 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6834 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5678 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0565 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1170 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 -0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0167 1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2587 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9087 -0.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1395 -2.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6351 -3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 0.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1936 1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1194 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2190 -0.8138 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
2 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 0.6266 0.3618
S SKP 5
ID FL5FECGA0002
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O
M END
