Mrv1533004301519592D 26 26 0 0 0 0 999 V2000 4.2868 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -10.3125 0.0000 O 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 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 20 24 1 0 0 0 0 24 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0328501 > NP-MRD > CCCCCCCCCCCCCC(=O)C1=C(O)CC(CCC)OC1=O > InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(23)21-20(24)17-18(15-4-2)26-22(21)25/h18,24H,3-17H2,1-2H3 > IUICVFDBFKPGGR-UHFFFAOYSA-N > C22H38O4 > 366.542 > 366.277009704 > 3 > 64 > 45.734295475011784 > 0 > 1 > 0 > 0 > 4-hydroxy-6-propyl-3-tetradecanoyl-5,6-dihydro-2H-pyran-2-one > 6.42 > 6.817054286333333 > -5.97 > 0 > 1 > -1 > 4.055340136840243 > -7.176867781863482 > 63.6 > 106.41219999999997 > 15 > 0 > 3.97e-04 g/l > 4-hydroxy-6-propyl-3-tetradecanoyl-5,6-dihydropyran-2-one > 0 > NP0328501 > 4-hydroxy-6-propyl-3-tetradecanoyl-5,6-dihydropyran-2-one $$$$