Mol:FLID1ANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 25 0 0 0 0 0 0 0 0999 V2000
-1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1135 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -0.0046 0.0000 C 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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
S SKP 8
ID FLID1ANF0001
KNApSAcK_ID C00009637
NAME Neodunol
CAS_RN 53766-53-3
FORMULA C17H12O4
EXACTMASS 280.073558872
AVERAGEMASS 280.27477999999996
SMILES Oc(c5)cc(O1)c(c5)C(C4)C1c(c2)c(O4)cc(o3)c(cc3)2
M END
