Mol:FL2FACNI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -1.4179 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 0.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 -2.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -2.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2664 1.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 2.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 0.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7262 1.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5858 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 2.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 -1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 -1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 -1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 4 1 0 9 11 1 0 7 12 2 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 2 18 1 0 15 19 1 0 16 20 1 0 21 6 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 17 22 1 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 1 32 1 0 S SKP 7 ID FL2FACNI0024 NAME Nymphaeol C CAS_RN 73676-36-5 FORMULA C30H36O6 EXACTMASS 492.251188884 AVERAGEMASS SMILES AVERAGEMASS 492.60324 SMILES Oc(c3O)ccc(c3CC=C(CCC=C(C)C)C)C(O1)CC(c(c2O)c(cc(c2CC=C(C)C)O)1)=O M END