Mol:FL2FALNP0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.5393 0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2564 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6469 0.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4726 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2564 -1.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0449 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 0.9980 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 9 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 2 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 12 23 1 0 0 0 0 14 24 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 21 31 1 0 0 0 0 S SKP 8 ID FL2FALNP0022 KNApSAcK_ID C00014247 NAME Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone CAS_RN 329319-20-2 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES Oc(c1)c(C(C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)ccc(O)1 M END