Mol:FLIF1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6288 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 0.6395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5964 1.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0401 1.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7743 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 1.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2935 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3299 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0444 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3421 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3421 -0.3683 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
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
14 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 2.579 -0.5746
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.3299 -0.8833
S SKP 8
ID FLIF1LNI0001
KNApSAcK_ID C00009573
NAME Myriconol
CAS_RN -
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1
M END
