Mol:FL2FALNI0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0576 1.1846 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 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
13 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
6 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 30
M SMT 2 OCH3
M SVB 2 30 -2.5576 0.3186
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.0057 0.9253
S SKP 8
ID FL2FALNI0015
KNApSAcK_ID C00008501
NAME Kenusanone E
CAS_RN 144161-82-0
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC
M END
