Mol:FL1CQUNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 1.4317 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 -0.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 -1.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -1.1050 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 10 2 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 15 23 1 0 0 0 0 3 24 1 0 0 0 0 S SKP 8 ID FL1CQUNM0002 KNApSAcK_ID C00007172 NAME 2-Hydroxy-7,8-dehydrograndiflorone CAS_RN 77744-54-8 FORMULA C19H20O5 EXACTMASS 328.13107375 AVERAGEMASS 328.3591 SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)C=Cc(c1)c(O)ccc1 M END