Mol:FL1CUNNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 1.3051 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 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 6 2 0 0 0 0
3 7 2 0 0 0 0
4 8 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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
2 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 ^OCH3
M SBV 1 19 -6.1519 4.0370
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 ^OCH3
M SBV 2 21 -5.7197 4.7907
S SKP 8
ID FL1CUNNS0001
KNApSAcK_ID C00007167
NAME Linderone
CAS_RN 1782-79-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1
M END
