Mol:FL5F1CNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.5691 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 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 16 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 23 M SMT 1 OCH3 M SVB 1 23 1.6687 1.6718 S SKP 8 ID FL5F1CNS0003 KNApSAcK_ID C00004581 NAME Geraldol CAS_RN 21511-25-1 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1 M END