Mol:FL1CUNNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 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 -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
0.6414 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3558 0.8911 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
-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
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
9 10 2 0 0 0 0
10 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
8 17 1 0 0 0 0
17 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 18
M SMT 1 OCH3
M SBV 1 18 -4.8447 4.7595
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 20
M SMT 2 ^OCH3
M SBV 2 20 -5.7197 4.7907
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 21 22
M SBL 3 1 22
M SMT 3 ^OCH3
M SBV 3 22 -6.1519 4.0370
S SKP 8
ID FL1CUNNS0002
KNApSAcK_ID C00007168
NAME Methylliderone
CAS_RN 3984-73-4
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COC(C=Cc(c2)cccc2)=C(C(=O)1)C(=O)C(OC)=C(OC)1
M END
