Mol:FL1C3CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.3252 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 22 M SMT 1 ^OCH3 M SBV 1 22 -5.6064 2.7096 S SKP 8 ID FL1C3CNS0002 KNApSAcK_ID C00006970 NAME Lanceoletin CAS_RN 6542-59-2 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cc(O)c(O)c1 M END