Mrv0541 02241212282D 34 33 0 0 0 0 999 V2000 -0.1473 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5789 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8644 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1499 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4355 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7210 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0065 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5776 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1486 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1486 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5776 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 -1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2921 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0065 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7210 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4354 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 4 1 0 0 0 0 28 1 1 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 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 1 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0045821 > NP-MRD > CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC > InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-33(34)31-29-27-25-23-21-14-12-10-8-6-4-2/h3-32H2,1-2H3 > WRWSTHSCCMVQFG-UHFFFAOYSA-N > C33H66O > 478.8765 > 478.511366734 > 1 > 69.59693697760005 > 0 > 0 > 0 > 0 > tritriacontan-14-one > 10.85 > 13.955274122333332 > -7.63 > 0 > 0 > 0 > -7.346983285909678 > 17.07 > 154.2766 > 30 > 0 > 1.11e-05 g/l > tritriacontan-14-one > 0 > NP0045821 > Tritriacontan-14-one $$$$