Mol:FL5FECGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.6292 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6292 -0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 -0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2287 -0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2287 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 0.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -1.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3127 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 -1.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3125 2.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9168 -0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 3.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6386 -2.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1080 -1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6386 -0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8567 -1.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7981 -1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5700 -3.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 -3.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5820 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 1.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3946 1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2854 2.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9734 2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9939 2.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3125 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5513 -0.7454 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
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
4 3 1 0 0 0 0
1 18 1 0 0 0 0
19 3 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 21 1 0 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
38 41 1 0 0 0 0
33 42 1 0 0 0 0
34 18 1 0 0 0 0
43 44 1 0 0 0 0
2 43 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 0.6379 0.3683
S SKP 5
ID FL5FECGS0011
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES O(C(=C4c(c5)cc(c(O)c5)O)C(=O)c(c3O)c(O4)cc(c3OC)OC(C2O)OC(C(O)C2O)C)C(O1)C(O)C(O)C(C(C)1)O
M END
