Mol:FL7AAHGO0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.5525 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5525 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8380 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8380 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.4817 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0196 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4760 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4760 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2667 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8380 -1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1405 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2039 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8598 -2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5474 -2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3292 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5474 -1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8598 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0779 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1162 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 -3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4333 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8651 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3147 3.7433 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
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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
13 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 20 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 0.0000 -0.8481
S SKP 5
ID FL7AAHGS0002
FORMULA C22H23O11
EXACTMASS 463.124036578
AVERAGEMASS 463.41142
SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c2)c([o+1]c(c3)c(c(O)cc(O)3)2)c(c1)cc(OC)c(O)c(O)1
M END
