Mol:FL2FALNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 36 0 0 0 0 0 0 0 0999 V2000 -2.4795 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4795 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1244 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1244 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 1.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 1.5310 0.0000 C 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 2 7 1 0 0 0 0 6 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 11 13 1 0 0 0 0 9 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 22 31 1 0 0 0 0 S SKP 8 ID FL2FALNR0001 KNApSAcK_ID C00008380 NAME Kuwanon D CAS_RN 67172-84-3 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c61)c(cc(c1C(=O)CC(O6)c(c5O)cc(c(c5)2)C(C(C)(C)4)C(C43)C(CC3)(C)O2)O)O M END