Mol:FLIAAANP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -2.3261 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -1.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 1 0 0 0 0 12 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 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 15 1 0 0 0 0 20 25 1 0 0 0 0 25 17 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 3 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 S SKP 8 ID FLIAAANP0012 KNApSAcK_ID C00009937 NAME Ulexone B CAS_RN 128988-21-6 FORMULA C25H22O5 EXACTMASS 402.146723814 AVERAGEMASS 402.43918 SMILES C(=C1)C(Oc(c5)c1c(c(c(O)5)2)OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C(=O)2)(C)C M END