Mol:FLIAACNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.5615 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 -1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -1.7008 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 13 31 1 0 0 0 0 S SKP 8 ID FLIAACNP0003 KNApSAcK_ID C00009520 NAME Isoauriculasin CAS_RN 60297-38-3 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)O M END