Mol:FL2FADNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0420 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 -1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1442 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 -1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 1.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 -1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1653 -1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 0.6558 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 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 9 11 1 6 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 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL2FADNI0006 KNApSAcK_ID C00014182 NAME (2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone CAS_RN 192572-95-5 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c1)(C(C3)Oc(c2)c(C(=O)3)c(O)c(c(O)2)C(C)(C)C=C)cc(c(O)c1)OC M END