Mol:FL2FQUNR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.1891 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1891 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7262 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7262 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8471 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1791 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7262 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2922 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9109 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 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 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 1 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
2 20 1 6 0 0 0
6 22 1 6 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
21 26 1 0 0 0 0
26 25 1 0 0 0 0
1 27 2 0 0 0 0
3 21 1 6 0 0 0
2 25 1 0 0 0 0
S SKP 8
ID FL2FQUNR0002
KNApSAcK_ID C00008372
NAME Louisfieserone B
CAS_RN 75801-77-3
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES CC(C(C)(C)5)(C(=O)3)C(O1)=C(C(C54)(C(OC4)3C)O)C(=O)CC1c(c2)cccc2
M END
