Mol:FL1C98NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 3.3680 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5402 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2717 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8242 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4806 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -1.3164 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 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 10 1 0 0 0 0 16 17 1 0 0 0 0 18 15 1 0 0 0 0 19 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 3 29 1 0 0 0 0 14 19 1 0 0 0 0 S SKP 8 ID FL1C98NI0001 KNApSAcK_ID C00007122 NAME Flemiwallichin E CAS_RN 96657-92-0 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES Oc(c1)c(C=CC(=O)c(c2)c(O)c(c(c2)CC=C(C)CCC=C(C)C)O)ccc1 M END