Mol:FL4DPTNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -1.3454 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 6 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 8 18 1 1 0 0 0 13 19 1 0 0 0 0 19 18 1 0 0 0 0 6 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 26 M SMT 1 OCH3 M SBV 1 26 -8.5069 4.5248 S SKP 8 ID FL4DPTNS0005 KNApSAcK_ID C00008605 NAME 5-Methoxymopanone CAS_RN 38279-50-4 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c4)c(C(=O)1)c(cc(O)4)OC(c32)C(OCc(c(O)c(O)cc3)2)1 M END