Mol:FL2F1ANP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.8455 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3615 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3615 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 1.9852 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 6 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 16 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 S SKP 8 ID FL2F1ANP0004 KNApSAcK_ID C00008432 NAME Xambioona CAS_RN 82345-36-6 FORMULA C25H24O4 EXACTMASS 388.167459256 AVERAGEMASS 388.45565999999997 SMILES c(C3=O)(c5)c(c(C=4)c(c5)OC(C4)(C)C)OC(C3)c(c2)ccc(c21)OC(C=C1)(C)C M END