Mol:FL3FA9NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4621 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4621 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0182 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -1.3861 0.0000 O 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.8194 0.77 S SKP 8 ID FL3FA9NM0003 KNApSAcK_ID C00003994 NAME Hoslundal CAS_RN 135404-52-3 FORMULA C18H14O5 EXACTMASS 310.084123558 AVERAGEMASS 310.30076 SMILES O(C=2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1O)CC=O)OC M END