Mrv1652309052210332D 27 29 0 0 1 0 999 V2000 1.3555 -3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 -2.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -1.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 -1.2550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2441 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0002 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3983 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -1.4661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4551 -2.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -2.2405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7831 -3.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8293 -2.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5449 -3.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -3.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -3.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 -4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.8886 0.0000 C 0 0 1 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 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 27 2 1 1 0 0 0 6 27 1 0 0 0 0 M END > NP0210639 > NP-MRD > CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)C2=C)\C=C(C)\CC\C=C(C)\CC[C@H]2O[C@]12C > InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-18-17(15(3)21(24)26-18)12-20(25-16(4)23)22(5)19(27-22)10-9-13/h7,11,17-20H,3,6,8-10,12H2,1-2,4-5H3/b13-7+,14-11+/t17-,18-,19+,20+,22-/m0/s1 > VAIRPKPEPRJXML-NOOSAJDVSA-N > C22H30O5 > 374.477 > 374.209324066 > 3 > 57 > 40.804109117335344 > 1 > 0 > 0 > 1 > (1S,3R,4S,6R,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.0^{4,6}]octadeca-9,13-dien-3-yl acetate > 3.941321216666668 > 0 > 3 > 0 > -4.2418878601767345 > 65.13 > 103.0225 > 2 > 1 > (1S,3R,4S,6R,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.0^{4,6}]octadeca-9,13-dien-3-yl acetate > 0 > NP0210639 > (1s,3r,4s,6r,9e,13e,15s)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.0⁴,⁶]octadeca-9,13-dien-3-yl acetate $$$$