Mol:FL5FA8NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 1.4543 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 17 21 1 0 0 0 0 S SKP 8 ID FL5FA8NS0001 KNApSAcK_ID C00004562 NAME Datiscetin CAS_RN 480-15-9 FORMULA C15H10O6 EXACTMASS 286.047738052 AVERAGEMASS 286.2363 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)c(O)ccc2 M END