Mol:FL631ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
1.4747 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 0.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 -0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7966 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5111 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 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 7 1 0 0 0 0
7 2 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
9 19 1 0 0 0 0
7 12 1 1 0 0 0
1 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 1 1 0 0 0 0
15 18 1 0 0 0 0
19 20 1 0 0 0 0
S SKP 8
ID FL631ANS0002
KNApSAcK_ID C00013260
NAME Guibourtinidol-7-methyl ether
CAS_RN -
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c3)cc(O1)c(c3)CC(O)C1c(c2)ccc(O)c2
M END
