Mol:FLID1ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 0.6849 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 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FLID1ANP0002
KNApSAcK_ID C00009639
NAME Neorautenol
CAS_RN 53766-52-2
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1
M END
