Mol:FL2FA9NI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.5764 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.3192 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0137 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.8828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5759 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0241 1.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4336 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5098 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -1.7841 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
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
23 19 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.5098 -1.3716
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.9336 0.2995
S SKP 8
ID FL2FA9NI0018
KNApSAcK_ID C00008455
NAME Epoxycandidone
CAS_RN 109770-91-4
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES C(C(=O)1)C(c(c4)cccc4)Oc(c(CC(O3)C3(C)C)2)c(c(cc(OC)2)OC)1
M END
