Mol:FLIAAANP0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.3261 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 0.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -1.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 2.1353 0.0000 O 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 26 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0013 KNApSAcK_ID C00009938 NAME Ulexone D CAS_RN 128988-23-8 FORMULA C25H22O6 EXACTMASS 418.141638436 AVERAGEMASS 418.43858 SMILES c(c2C(=C3)C(=O)c(c(O)4)c(c(C=5)c(OC(C)(CO)C5)c4)O3)c(C=1)c(cc2)OC(C1)(C)C M END