Mol:FL63ACNC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.6849 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5723 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5723 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 1.1083 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 1 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 17 1 0 0 0 0 24 25 2 0 0 0 0 S SKP 8 ID FL63ACNC0001 KNApSAcK_ID C00008968 NAME Phyllocoumarin CAS_RN 124902-13-2 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)2)c(O3)c(c1c2)C=CC(=O)O1 M END