Mol:FL1C28NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 3.1196 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -0.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 -0.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0845 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 0.1748 0.0000 C 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 6 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 15 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL1C28NP0002 KNApSAcK_ID C00007152 NAME Flemingin C CAS_RN 18296-60-1 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3)(c(O)c(c(c3O)2)C=CC(CCC=C(C)C)(O2)C)C(=O)C=Cc(c(O)1)cc(cc1)O M END