Mol:FL4DACNC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-0.8988 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 0.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 1.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
17 30 1 0 0 0 0
5 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
S SKP 8
ID FL4DACNC0003
KNApSAcK_ID C00008661
NAME Gericudranin A
CAS_RN 169592-15-8
FORMULA C29H24O9
EXACTMASS 516.142032366
AVERAGEMASS 516.49546
SMILES Oc(c1)c(O)ccc1C(C(O)2)Oc(c(Cc(c5)ccc(c5)O)4)c(c(c(c4O)Cc(c3)ccc(c3)O)O)C2=O
M END
