Mol:FL6FUNNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
0.3739 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4332 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6038 -0.7263 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 8 1 0 0 0 0
11 1 1 6 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
13 21 2 0 0 0 0
8 22 1 0 0 0 0
8 23 1 1 0 0 0
12 23 1 1 0 0 0
23 24 2 0 0 0 0
S SKP 8
ID FL6FUNNI0001
KNApSAcK_ID C00013248
NAME (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
CAS_RN 350221-53-3
FORMULA C20H22O4
EXACTMASS 326.151809192
AVERAGEMASS 326.38628
SMILES O=C(C12O)C(CC=C(C)C)(C(c(c3)ccc(O)c3)CC2)C(C=C1)=O
M END
