Mol:FL4DAANF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.6670 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 -1.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 -0.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -1.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 1.5845 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 8 18 1 0 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 6 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 S SKP 8 ID FL4DAANF0002 KNApSAcK_ID C00008618 NAME 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone CAS_RN 124901-84-8 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)3)c(c(c2c3)CC(O2)C(C)=C)1)=O)O M END