Mol:FLNAA9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.1772 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -0.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 0.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 0.9939 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 13 3 1 0 0 0 0 1 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 2 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 6 30 1 0 0 0 0 S SKP 8 ID FLNAA9NI0001 KNApSAcK_ID C00002482 NAME Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin CAS_RN 18483-64-2 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES O=C(O2)C=C(c(c3)cccc3)c(c21)c(c(C(CC(C)C)=O)c(O)c1CC=C(C)C)O M END