Mrv1533004171501172D 26 25 0 0 0 0 999 V2000 -0.3829 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 3.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 2.6664 0.0000 C 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 4 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 4 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 17 24 1 0 0 0 0 13 25 1 0 0 0 0 2 26 1 0 0 0 0 M END > NP0223606 > NP-MRD > CC(C)=CC(=O)CC(=C)C(=O)CCC(C)=CCCC(C)=CCOC(C)=O > InChI=1S/C22H32O4/c1-16(2)14-21(24)15-19(5)22(25)11-10-17(3)8-7-9-18(4)12-13-26-20(6)23/h8,12,14H,5,7,9-11,13,15H2,1-4,6H3 > YSAUIJBHWDSQNX-UHFFFAOYSA-N > C22H32O4 > 360.494 > 360.23005951 > 3 > 58 > 41.56591883515442 > 1 > 0 > 0 > 1 > 3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate > 4.67 > 4.834114986333332 > -4.91 > 0 > 0 > 0 > 12.862347641493418 > -4.411525921016781 > 60.440000000000005 > 108.1776 > 13 > 1 > 4.43e-03 g/l > 3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate > 0 > NP0223606 > 3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate $$$$