Mol:FL5FECGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.7563 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7563 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0418 -1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6726 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6726 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0418 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1015 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1015 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5439 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2721 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2721 0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5439 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8971 -1.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0418 -2.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9185 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3690 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8206 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2691 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8228 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6293 -0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9185 -0.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5994 -1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3916 -1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5380 1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1049 2.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3424 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 -2.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1775 0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3174 1.0275 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
16 31 1 0 0 0 0
33 34 1 0 0 0 0
2 33 1 0 0 0 0
35 36 1 0 0 0 0
27 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 0.0059 -0.7179
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 ^ OCH3
M SBV 2 37 0.5861 0.2759
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 ^ CH2OH
M SBV 3 39 0.5482 -0.5597
S SKP 5
ID FL5FECGS0022
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O(c(c1)c(O)ccc1C(O2)=C(C(c(c4O)c2cc(c4OC)OC(C(O)3)OC(CO)C(C3O)O)=O)O)C
M END
