Mol:FL5FACGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.6108 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6108 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9096 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9096 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5071 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8058 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8058 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5071 0.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5071 -1.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1049 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6097 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3244 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3244 1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6097 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1049 1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3117 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 -1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8403 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 -1.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7252 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2139 -0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2742 -1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 -1.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5938 -0.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9220 -0.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0389 1.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9096 -1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6097 2.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7917 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3117 -0.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3117 -2.4226 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
23 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -1.0665 -0.2531
S SKP 5
ID FL5FACGS0007
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)O)O
M END
