Mol:FLIC1LNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7225 -0.6206 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
16 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 2 1 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FLIC1LNF0002
KNApSAcK_ID C00010034
NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan
CAS_RN 121747-87-3
FORMULA C20H22O4
EXACTMASS 326.151809192
AVERAGEMASS 326.38628
SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1
M END
