Mol:FLIAALNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.5615 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -1.3574 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 12 31 1 0 0 0 0 S SKP 8 ID FLIAALNP0007 KNApSAcK_ID C00009519 NAME Isoauriculatin CAS_RN 30431-67-5 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(=C4)c(c3OC4(C)C)c(O)c(c(c3)1)C(C(c(c2)c(O)cc(c2)OCC=C(C)C)=CO1)=O M END