Mol:FLIC1LNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9047 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0971 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8042 0.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 2 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
8 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 11 2 0 0 0 0
1 17 1 0 0 0 0
8 18 1 6 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.6314 -0.7426
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.1173 -0.3913
S SKP 8
ID FLIC1LNS0002
KNApSAcK_ID C00002570
NAME (-)-Sativan
CAS_RN 41743-86-6
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)cc(OC)c(c3)[C@]([H])(C1)Cc(c2)c(cc(O)c2)O1
M END
