Mol:FL7AAHGL0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.7277 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0131 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0131 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 2.1833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0966 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 3.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7751 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0267 3.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0267 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9756 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0152 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3359 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1358 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2152 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2967 -1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1690 -0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 4.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3313 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6229 -3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3598 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2511 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 -3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4143 -2.2224 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
2 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 3 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
15 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
17 33 1 0 0 0 0
13 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0016
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(OC)c(c4O)O)[o+1]c(c3)c2c(cc3O)O)OC1CO)O
M END
