Mrv1652309072217392D 26 25 0 0 0 0 999 V2000 3.1895 2.6664 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 2.4750 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 1.0461 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 -0.3829 1.4289 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 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 6.0474 2.6664 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 8.9052 2.6664 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 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 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 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 14 16 2 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 19 21 2 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 24 26 2 0 0 0 0 M END > NP0252213 > NP-MRD > CC(C)=CC(=O)CC(=C)C(=O)CC\C(C)=C\CC\C(C)=C\COC(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/b17-8+,18-12+ > YSAUIJBHWDSQNX-NVJLSHBWSA-N > C22H32O4 > 360.494 > 360.23005951 > 3 > 58 > 42.38661318303864 > 1 > 0 > 0 > 1 > (2E,6E)-3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate > 4.834114986333332 > 0 > 0 > 0 > 12.862347641493418 > -4.411525921016781 > 60.440000000000005 > 108.17759999999998 > 13 > 1 > (2E,6E)-3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate > 0 > NP0252213 > (2e,6e)-3,7,15-trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trien-1-yl acetate $$$$