Mol:FL4DAEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.0953 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 1.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0953 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2374 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2374 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5578 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2830 1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0082 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0082 2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2830 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5578 2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7134 1.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5506 -0.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 -0.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2830 3.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2752 -2.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 -3.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2631 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6014 -2.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2052 -2.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6338 -0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1135 -0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8492 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4844 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0048 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0059 -0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6309 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0476 -1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1732 -1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -3.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 -3.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 -3.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7334 2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7134 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 19 1 0 0 0 0
43 44 1 0 0 0 0
15 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 -0.7252 -0.4188
S SKP 5
ID FL4DAEGS0001
FORMULA C28H34O16
EXACTMASS 626.18468504
AVERAGEMASS 626.55996
SMILES O(C(C4=O)C(Oc(c5)c4c(cc5O)O)c(c3)ccc(OC)c(O)3)C(O1)C(O)C(O)C(C1COC(O2)C(C(C(O)C(C)2)O)O)O
M END
