Mol:FL1DQUNM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.6345 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7050 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7050 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2406 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2406 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6858 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1490 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6123 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0755 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0755 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6123 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1490 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2406 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 -0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8909 0.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5091 1.0986 0.0000 C 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 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
5 8 2 0 0 0 0
4 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 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
9 18 2 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
S SKP 8
ID FL1DQUNM0003
KNApSAcK_ID C00007981
NAME Ceratiolin
CAS_RN 106869-61-8
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES c(c2)ccc(c2)CCC(=O)C(=C(O)1)C(=O)C(C)(O)C(O)=C(C)1
M END
