Mol:FL2FALNI0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.5128 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
6 19 1 0 0 0 0
17 20 1 0 0 0 0
13 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -7.8764 4.5634
S SKP 8
ID FL2FALNI0016
KNApSAcK_ID C00008502
NAME Kenusanone D
CAS_RN 144161-81-9
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES O(C(c(c3O)c(cc(c3)OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O
M END
