Mol:FL63ACGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.3382 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3382 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1949 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1949 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6748 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6748 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3643 2.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0527 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3693 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7285 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9645 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6054 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9399 -1.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2958 -3.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1472 -2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2927 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2663 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2663 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6737 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0527 -1.8407 0.0000 O 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
4 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 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 6 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
24 23 1 1 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
15 40 1 0 0 0 0
41 42 1 0 0 0 0
24 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.7092 0.4205
S SKP 5
ID FL63ACGS0004
FORMULA C30H30O12
EXACTMASS 582.173726424
AVERAGEMASS 582.552
SMILES C(=Cc(c5)cccc5)C(=O)OC(C1O)C(C(OC1OC(C(c(c4)ccc(O)c(O)4)2)Cc(c(O)3)c(cc(O)c3)O2)CO)O
M END
