Mol:FLIAAANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.0117 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4897 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9901 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9901 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4897 0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4897 -1.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4185 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4185 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8817 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2418 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0829 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0144 -0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 -1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -0.3720 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 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
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 1 0 0 0
23 26 1 6 0 0 0
20 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0001
KNApSAcK_ID C00002555
NAME Osajin
CAS_RN 482-53-1
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES O(c14)C(C)(C)C=Cc(c(c(c(c(CC=C(C)C)4)O)2)OC=C(c(c3)ccc(c3)O)C2=O)1
M END
