Mol:FL2F1ANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.4224 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4224 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1082 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1082 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6226 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7970 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -1.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9225 0.2971 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
4 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 5 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
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
19 21 1 6 0 0 0
19 22 1 1 0 0 0
9 23 1 1 0 0 0
7 24 2 0 0 0 0
1 25 1 0 0 0 0
S SKP 8
ID FL2F1ANP0001
KNApSAcK_ID C00000935
NAME Abyssinone I
CAS_RN 77263-07-1
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c12)(ccc(C(C4)([H])Oc(c3C(=O)4)cc(O)cc3)c2)OC(C=C1)(C)C
M END
