Mol:FL7AACGA0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.3078 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3078 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5030 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5030 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 1.3436 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1980 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6274 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6274 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 2.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1980 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3418 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0087 1.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 -1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2237 -0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 3.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9650 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7741 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0087 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1996 -2.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9667 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7758 -0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0104 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2013 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4946 0.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0104 1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3625 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 -1.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4404 -2.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3064 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 -3.4063 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 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 20 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGA0003
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES Oc(c(O)1)ccc(c([o+1]2)c(OC(O4)C(O)C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)cc(c3O)c2cc(O)c3)c1
M END
