Mol:FLID1ANP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.5856 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5856 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0293 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0293 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9167 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9167 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1417 1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1417 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
14 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 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FLID1ANP0006
KNApSAcK_ID C00010002
NAME Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan
CAS_RN 998755-24-9
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES C(c35)(C(Oc3cc(c4c5)OC(C=C4)(C)C)1)COc(c2)c1ccc(O)2
M END
