Mrv1533004251512172D 21 21 0 0 0 0 999 V2000 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > NP0330355 > NP-MRD > CCCCCCCCC(=O)C1=CC(OC)=C(C=O)C(=O)O1 > InChI=1S/C16H22O5/c1-3-4-5-6-7-8-9-13(18)15-10-14(20-2)12(11-17)16(19)21-15/h10-11H,3-9H2,1-2H3 > VVCPRCFVJOHOJL-UHFFFAOYSA-N > C16H22O5 > 294.347 > 294.146723808 > 4 > 43 > 32.85071955635793 > 1 > 0 > 0 > 1 > 4-methoxy-6-nonanoyl-2-oxo-2H-pyran-3-carbaldehyde > 3.72 > 3.2136630236666663 > -4.59 > 0 > 1 > 0 > 19.85501427522277 > -4.865957083566477 > 69.67 > 80.97720000000001 > 10 > 1 > 7.55e-03 g/l > 4-methoxy-6-nonanoyl-2-oxopyran-3-carbaldehyde > 0 > NP0330355 > 4-methoxy-6-nonanoyl-2-oxopyran-3-carbaldehyde $$$$