Mol:FL3FACGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.5148 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5148 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2895 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2895 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 1.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 -0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1337 2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9891 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9669 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5693 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6425 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1337 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1074 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -3.7508 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 1 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL3FACGM0001
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c3)(cc(O1)c(c3OC(O4)C(C(C(O)C4C)O)O)C(C(C)=C(c(c2)ccc(c2O)O)1)=O)O
M END
