Mol:FLIB1LNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7248 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2809 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 1.8002 0.0000 O 0 0 0 0 0 0 0 0 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 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIB1LNI0003
KNApSAcK_ID C00009965
NAME 5-Deoxykievitol
CAS_RN 104380-54-3
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c1)c(c(CC=C(CO)C)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O
M END
